[4-[C-[(6-amino-2-pyridinyl)methyl]-N-methoxycarbonimidoyl]piperidin-1-yl]-[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]methanone

C25H35N7O2 — CID 59275036

IUPAC[4-[C-[(6-amino-2-pyridinyl)methyl]-N-methoxycarbonimidoyl]piperidin-1-yl]-[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]methanone
SMILESCON=C(Cc1cccc(N)n1)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1
InChIInChI=1S/C25H35N7O2/c1-34-30-22(16-21-3-2-4-23(26)29-21)19-8-13-32(14-9-19)25(33)20-6-11-31(12-7-20)17-18-5-10-28-24(27)15-18/h2-5,10,15,19-20H,6-9,11-14,16-17H2,1H3,(H2,26,29)(H2,27,28)
InChIKeySDRWVIPMSDVAAY-UHFFFAOYSA-N
MW465.60 g/mol
LogP2.34
Rot. Bonds7

About [4-[C-[(6-amino-2-pyridinyl)methyl]-N-methoxycarbonimidoyl]piperidin-1-yl]-[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]methanone

[4-[C-[(6-amino-2-pyridinyl)methyl]-N-methoxycarbonimidoyl]piperidin-1-yl]-[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]methanone (PubChem CID 59275036) has the molecular formula C25H35N7O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is [4-[C-[(6-amino-2-pyridinyl)methyl]-N-methoxycarbonimidoyl]piperidin-1-yl]-[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-[C-[(6-amino-2-pyridinyl)methyl]-N-methoxycarbonimidoyl]piperidin-1-yl]-[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]methanone
PubChem CID59275036
Molecular FormulaC25H35N7O2
Molecular Weight465.60 g/mol
Exact Mass465.29
IUPAC Name[4-[C-[(6-amino-2-pyridinyl)methyl]-N-methoxycarbonimidoyl]piperidin-1-yl]-[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]methanone
SMILESCON=C(Cc1cccc(N)n1)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1
InChIInChI=1S/C25H35N7O2/c1-34-30-22(16-21-3-2-4-23(26)29-21)19-8-13-32(14-9-19)25(33)20-6-11-31(12-7-20)17-18-5-10-28-24(27)15-18/h2-5,10,15,19-20H,6-9,11-14,16-17H2,1H3,(H2,26,29)(H2,27,28)
InChIKeySDRWVIPMSDVAAY-UHFFFAOYSA-N
XLogP2.34
TPSA122.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [4-[C-[(6-amino-2-pyridinyl)methyl]-N-methoxycarbonimidoyl]piperidin-1-yl]-[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[N-methoxy-C-(4-methylphenyl)carbonimidoyl]piperidin-1-yl]methanone
CID 145470599
6-[C-[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-N-methoxycarbonimidoyl]-1H-pyridin-2-one
CID 59275109
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-methoxy-C-pyrazin-2-ylcarbonimidoyl]piperidin-1-yl]methanone
CID 10296831
1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbaldehyde;(NZ)-N-[2-(6-amino-2-pyridinyl)-1-(1-methylpiperidin-4-yl)ethylidene]hydroxylamine
CID 143495974
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-methoxy-C-thiophen-3-ylcarbonimidoyl)piperidin-1-yl]methanone
CID 59275029
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(2-methoxy-1-pyridin-2-ylethenyl)piperidin-1-yl]methanone
CID 71068075
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-ethoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone
CID 21306788
[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
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-C-(4-chlorophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]methanone
CID 21306782
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(N-propan-2-yloxy-C-pyridin-2-ylcarbonimidoyl)piperidin-1-yl]methanone
CID 59275079
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[(E)-N-propoxy-C-pyridin-2-ylcarbonimidoyl]piperidin-1-yl]methanone
CID 10161945
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[C-pyridin-2-yl-N-(2,2,2-trifluoroethoxy)carbonimidoyl]piperidin-1-yl]methanone
CID 72642300

Frequently Asked Questions

What is the IUPAC name of [4-[C-[(6-amino-2-pyridinyl)methyl]-N-methoxycarbonimidoyl]piperidin-1-yl]-[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]methanone?
The IUPAC name of [4-[C-[(6-amino-2-pyridinyl)methyl]-N-methoxycarbonimidoyl]piperidin-1-yl]-[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]methanone (CID 59275036) is [4-[C-[(6-amino-2-pyridinyl)methyl]-N-methoxycarbonimidoyl]piperidin-1-yl]-[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for [4-[C-[(6-amino-2-pyridinyl)methyl]-N-methoxycarbonimidoyl]piperidin-1-yl]-[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for [4-[C-[(6-amino-2-pyridinyl)methyl]-N-methoxycarbonimidoyl]piperidin-1-yl]-[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]methanone is CON=C(Cc1cccc(N)n1)C1CCN(C(=O)C2CCN(Cc3ccnc(N)c3)CC2)CC1.
What is the InChIKey of [4-[C-[(6-amino-2-pyridinyl)methyl]-N-methoxycarbonimidoyl]piperidin-1-yl]-[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]methanone?
The InChIKey is SDRWVIPMSDVAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O2/c1-34-30-22(16-21-3-2-4-23(26)29-21)19-8-13-32(14-9-19)25(33)20-6-11-31(12-7-20)17-18-5-10-28-24(27)15-18/h2-5,10,15,19-20H,6-9,11-14,16-17H2,1H3,(H2,26,29)(H2,27,28).
What are the key properties of [4-[C-[(6-amino-2-pyridinyl)methyl]-N-methoxycarbonimidoyl]piperidin-1-yl]-[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]methanone?
[4-[C-[(6-amino-2-pyridinyl)methyl]-N-methoxycarbonimidoyl]piperidin-1-yl]-[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]methanone has a molecular weight of 465.60 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[C-[(6-amino-2-pyridinyl)methyl]-N-methoxycarbonimidoyl]piperidin-1-yl]-[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 59275036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).