[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1R)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone

C170H227N41O14 — CID 172957199

IUPAC[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1R)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone
SMILESCO/N=C(/c1ccccn1)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.CO/N=C(/c1ccccn1)C1CCN(C(=O)C2CCN([C@@H](C)c3ccnc(N)c3)CC2)CC1.CO/N=C(/c1ccccn1)C1CCN(C(=O)C2CCN([C@H](C)c3ccnc(N)c3)CC2)CC1.CO/N=C(\c1ccccn1)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.CO/N=C(\c1ccccn1)C1CCN(C(=O)C2CCN([C@@H](C)c3ccnc(N)c3)CC2)CC1.CON=C(c1ccccn1)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.Nc1cc(CN2CCC(C(=O)N3CCC(C(=O)c4ccccn4)CC3)CC2)ccn1
InChIInChI=1S/3C25H34N6O2.3C24H32N6O2.C23H29N5O2/c3*1-18(21-6-12-28-23(26)17-21)30-13-9-20(10-14-30)25(32)31-15-7-19(8-16-31)24(29-33-2)22-5-3-4-11-27-22;3*1-32-28-23(21-4-2-3-10-26-21)19-8-14-30(15-9-19)24(31)20-6-12-29(13-7-20)17-18-5-11-27-22(25)16-18;24-21-15-17(4-10-26-21)16-27-11-5-19(6-12-27)23(30)28-13-7-18(8-14-28)22(29)20-3-1-2-9-25-20/h3*3-6,11-12,17-20H,7-10,13-16H2,1-2H3,(H2,26,28);3*2-5,10-11,16,19-20H,6-9,12-15,17H2,1H3,(H2,25,27);1-4,9-10,15,18-19H,5-8,11-14,16H2,(H2,24,26)/b2*29-24+;29-24-;28-23+;28-23-;;/t3*18-;;;;/m100..../s1
InChIKeyLYCLCIOFISPKGA-PTDRQOHCSA-N
MW3068.96 g/mol
LogP19.44
Rot. Bonds41

About [1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1R)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone

[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1R)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone (PubChem CID 172957199) has the molecular formula C170H227N41O14 and a molecular weight of 3068.96 g/mol. Its IUPAC name is [1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1R)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1R)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone
PubChem CID172957199
Molecular FormulaC170H227N41O14
Molecular Weight3068.96 g/mol
Exact Mass3066.83
IUPAC Name[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1R)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone
SMILESCO/N=C(/c1ccccn1)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.CO/N=C(/c1ccccn1)C1CCN(C(=O)C2CCN([C@@H](C)c3ccnc(N)c3)CC2)CC1.CO/N=C(/c1ccccn1)C1CCN(C(=O)C2CCN([C@H](C)c3ccnc(N)c3)CC2)CC1.CO/N=C(\c1ccccn1)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.CO/N=C(\c1ccccn1)C1CCN(C(=O)C2CCN([C@@H](C)c3ccnc(N)c3)CC2)CC1.CON=C(c1ccccn1)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.Nc1cc(CN2CCC(C(=O)N3CCC(C(=O)c4ccccn4)CC3)CC2)ccn1
InChIInChI=1S/3C25H34N6O2.3C24H32N6O2.C23H29N5O2/c3*1-18(21-6-12-28-23(26)17-21)30-13-9-20(10-14-30)25(32)31-15-7-19(8-16-31)24(29-33-2)22-5-3-4-11-27-22;3*1-32-28-23(21-4-2-3-10-26-21)19-8-14-30(15-9-19)24(31)20-6-12-29(13-7-20)17-18-5-11-27-22(25)16-18;24-21-15-17(4-10-26-21)16-27-11-5-19(6-12-27)23(30)28-13-7-18(8-14-28)22(29)20-3-1-2-9-25-20/h3*3-6,11-12,17-20H,7-10,13-16H2,1-2H3,(H2,26,28);3*2-5,10-11,16,19-20H,6-9,12-15,17H2,1H3,(H2,25,27);1-4,9-10,15,18-19H,5-8,11-14,16H2,(H2,24,26)/b2*29-24+;29-24-;28-23+;28-23-;;/t3*18-;;;;/m100..../s1
InChIKeyLYCLCIOFISPKGA-PTDRQOHCSA-N
XLogP19.44
TPSA674.06 Ų
H-Bond Donors7
H-Bond Acceptors48
Rotatable Bonds41
Heavy Atoms225
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003068.96
LogP ≤ 519.44
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1R)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1R)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone?
The IUPAC name of [1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1R)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone (CID 172957199) is [1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1R)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1R)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone?
The canonical SMILES for [1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1R)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone is CO/N=C(/c1ccccn1)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.CO/N=C(/c1ccccn1)C1CCN(C(=O)C2CCN([C@@H](C)c3ccnc(N)c3)CC2)CC1.CO/N=C(/c1ccccn1)C1CCN(C(=O)C2CCN([C@H](C)c3ccnc(N)c3)CC2)CC1.CO/N=C(\c1ccccn1)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.CO/N=C(\c1ccccn1)C1CCN(C(=O)C2CCN([C@@H](C)c3ccnc(N)c3)CC2)CC1.CON=C(c1ccccn1)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.Nc1cc(CN2CCC(C(=O)N3CCC(C(=O)c4ccccn4)CC3)CC2)ccn1.
What is the InChIKey of [1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1R)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone?
The InChIKey is LYCLCIOFISPKGA-PTDRQOHCSA-N. The full InChI is InChI=1S/3C25H34N6O2.3C24H32N6O2.C23H29N5O2/c3*1-18(21-6-12-28-23(26)17-21)30-13-9-20(10-14-30)25(32)31-15-7-19(8-16-31)24(29-33-2)22-5-3-4-11-27-22;3*1-32-28-23(21-4-2-3-10-26-21)19-8-14-30(15-9-19)24(31)20-6-12-29(13-7-20)17-18-5-11-27-22(25)16-18;24-21-15-17(4-10-26-21)16-27-11-5-19(6-12-27)23(30)28-13-7-18(8-14-28)22(29)20-3-1-2-9-25-20/h3*3-6,11-12,17-20H,7-10,13-16H2,1-2H3,(H2,26,28);3*2-5,10-11,16,19-20H,6-9,12-15,17H2,1H3,(H2,25,27);1-4,9-10,15,18-19H,5-8,11-14,16H2,(H2,24,26)/b2*29-24+;29-24-;28-23+;28-23-;;/t3*18-;;;;/m100..../s1.
What are the key properties of [1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1R)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone?
[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1R)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone has a molecular weight of 3068.96 g/mol, XLogP of 19.44, 41 rotatable bonds, 7 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1R)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(1S)-1-(2-amino-4-pyridinyl)ethyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-pyridin-2-ylmethanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-pyridin-2-ylcarbonimidoyl)piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(Z)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone;[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone is sourced from PubChem (CID 172957199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).