1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide

C31H38N6O2 — CID 10165231

IUPAC1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1cccc(CN2CCC(NC(=O)C3CCN(Cc4ccncc4)CC3)CC2)c1
InChIInChI=1S/C31H38N6O2/c38-30(34-21-26-4-2-12-33-20-26)28-5-1-3-25(19-28)23-37-17-10-29(11-18-37)35-31(39)27-8-15-36(16-9-27)22-24-6-13-32-14-7-24/h1-7,12-14,19-20,27,29H,8-11,15-18,21-23H2,(H,34,38)(H,35,39)
InChIKeyGIENPMUWJHGHIN-UHFFFAOYSA-N
MW526.69 g/mol
LogP3.40
Rot. Bonds9

About 1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide

1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 10165231) has the molecular formula C31H38N6O2 and a molecular weight of 526.69 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide
PubChem CID10165231
Molecular FormulaC31H38N6O2
Molecular Weight526.69 g/mol
Exact Mass526.31
IUPAC Name1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1cccc(CN2CCC(NC(=O)C3CCN(Cc4ccncc4)CC3)CC2)c1
InChIInChI=1S/C31H38N6O2/c38-30(34-21-26-4-2-12-33-20-26)28-5-1-3-25(19-28)23-37-17-10-29(11-18-37)35-31(39)27-8-15-36(16-9-27)22-24-6-13-32-14-7-24/h1-7,12-14,19-20,27,29H,8-11,15-18,21-23H2,(H,34,38)(H,35,39)
InChIKeyGIENPMUWJHGHIN-UHFFFAOYSA-N
XLogP3.40
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.69
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
N-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide
CID 10186514
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 56552164
2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 24719003
1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 51361852
3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)benzamide
CID 43921921
N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42462930
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 42517374
1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide
CID 138041926
1-[(4-chlorophenyl)methyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 45008188

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide (CID 10165231) is 1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide is O=C(NCc1cccnc1)c1cccc(CN2CCC(NC(=O)C3CCN(Cc4ccncc4)CC3)CC2)c1.
What is the InChIKey of 1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is GIENPMUWJHGHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N6O2/c38-30(34-21-26-4-2-12-33-20-26)28-5-1-3-25(19-28)23-37-17-10-29(11-18-37)35-31(39)27-8-15-36(16-9-27)22-24-6-13-32-14-7-24/h1-7,12-14,19-20,27,29H,8-11,15-18,21-23H2,(H,34,38)(H,35,39).
What are the key properties of 1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide?
1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 526.69 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 10165231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).