[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(2,3-dihydropyridin-6-yl)methanone;ethane

C25H37N5O2 — CID 145470592

IUPAC[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(2,3-dihydropyridin-6-yl)methanone;ethane
SMILESCC.Nc1cc(CN2CCC(C(=O)N3CCC(C(=O)C4=NCCC=C4)CC3)CC2)ccn1
InChIInChI=1S/C23H31N5O2.C2H6/c24-21-15-17(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;1-2/h1,3-4,10,15,18-19H,2,5-9,11-14,16H2,(H2,24,26);1-2H3
InChIKeySCGUXGMSXYQEIQ-UHFFFAOYSA-N
MW439.60 g/mol
LogP3.11
Rot. Bonds5

About [1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(2,3-dihydropyridin-6-yl)methanone;ethane

[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(2,3-dihydropyridin-6-yl)methanone;ethane (PubChem CID 145470592) has the molecular formula C25H37N5O2 and a molecular weight of 439.60 g/mol. Its IUPAC name is [1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(2,3-dihydropyridin-6-yl)methanone;ethane.

Molecular Properties

Compound Name[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(2,3-dihydropyridin-6-yl)methanone;ethane
PubChem CID145470592
Molecular FormulaC25H37N5O2
Molecular Weight439.60 g/mol
Exact Mass439.29
IUPAC Name[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(2,3-dihydropyridin-6-yl)methanone;ethane
SMILESCC.Nc1cc(CN2CCC(C(=O)N3CCC(C(=O)C4=NCCC=C4)CC3)CC2)ccn1
InChIInChI=1S/C23H31N5O2.C2H6/c24-21-15-17(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;1-2/h1,3-4,10,15,18-19H,2,5-9,11-14,16H2,(H2,24,26);1-2H3
InChIKeySCGUXGMSXYQEIQ-UHFFFAOYSA-N
XLogP3.11
TPSA91.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)piperidin-1-yl]methanone
CID 44816346
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-[N-methoxy-C-(4-methylphenyl)carbonimidoyl]piperidin-1-yl]methanone
CID 145470599
1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]-4-(cyclohexylamino)piperidine-4-carboxamide;ethane
CID 143382692
[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]piperidin-4-yl]-[4-(4-bromophenyl)sulfanylpiperidin-1-yl]methanone
CID 143495423
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
CID 58335010
[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-[(E)-C-(4-chlorophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]methanone
CID 21306782
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(3-methylpyridine-2-carboximidoyl)piperidin-1-yl]methanone
CID 142137751
[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(2-methoxy-1-pyridin-2-ylethenyl)piperidin-1-yl]methanone
CID 71068075
[4-[C-[(6-amino-2-pyridinyl)methyl]-N-methoxycarbonimidoyl]piperidin-1-yl]-[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]methanone
CID 59275036
[4-[(2-amino-5-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-[1-[(2-amino-4-pyridinyl)methyl]piperidin-4-yl]methanone
CID 89125704

Frequently Asked Questions

What is the IUPAC name of [1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(2,3-dihydropyridin-6-yl)methanone;ethane?
The IUPAC name of [1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(2,3-dihydropyridin-6-yl)methanone;ethane (CID 145470592) is [1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(2,3-dihydropyridin-6-yl)methanone;ethane.
What is the SMILES notation for [1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(2,3-dihydropyridin-6-yl)methanone;ethane?
The canonical SMILES for [1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(2,3-dihydropyridin-6-yl)methanone;ethane is CC.Nc1cc(CN2CCC(C(=O)N3CCC(C(=O)C4=NCCC=C4)CC3)CC2)ccn1.
What is the InChIKey of [1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(2,3-dihydropyridin-6-yl)methanone;ethane?
The InChIKey is SCGUXGMSXYQEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2.C2H6/c24-21-15-17(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;1-2/h1,3-4,10,15,18-19H,2,5-9,11-14,16H2,(H2,24,26);1-2H3.
What are the key properties of [1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(2,3-dihydropyridin-6-yl)methanone;ethane?
[1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(2,3-dihydropyridin-6-yl)methanone;ethane has a molecular weight of 439.60 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(2-amino-4-pyridinyl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-(2,3-dihydropyridin-6-yl)methanone;ethane is sourced from PubChem (CID 145470592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).