2-(4-benzylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide

C24H26N4O — CID 109171652

IUPAC2-(4-benzylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1ccccn1)c1ccnc(N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C24H26N4O/c29-24(27-18-22-8-4-5-12-25-22)21-9-13-26-23(17-21)28-14-10-20(11-15-28)16-19-6-2-1-3-7-19/h1-9,12-13,17,20H,10-11,14-16,18H2,(H,27,29)
InChIKeySEUJFZZZPPIDOJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.87
Rot. Bonds6

About 2-(4-benzylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide

2-(4-benzylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 109171652) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
PubChem CID109171652
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1ccccn1)c1ccnc(N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C24H26N4O/c29-24(27-18-22-8-4-5-12-25-22)21-9-13-26-23(17-21)28-14-10-20(11-15-28)16-19-6-2-1-3-7-19/h1-9,12-13,17,20H,10-11,14-16,18H2,(H,27,29)
InChIKeySEUJFZZZPPIDOJ-UHFFFAOYSA-N
XLogP3.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169442
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171642
4-[2-(4-benzylpiperidin-1-yl)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168855
N-benzyl-6-(4-benzylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109346670
2-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-4-carboxamide
CID 109175499
6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1448003
3-(1-pyrazin-2-ylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
CID 72889997
2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259132
2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117087020
N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169913
6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide
CID 121028359
4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46055500

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide (CID 109171652) is 2-(4-benzylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide is O=C(NCc1ccccn1)c1ccnc(N2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is SEUJFZZZPPIDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c29-24(27-18-22-8-4-5-12-25-22)21-9-13-26-23(17-21)28-14-10-20(11-15-28)16-19-6-2-1-3-7-19/h1-9,12-13,17,20H,10-11,14-16,18H2,(H,27,29).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide?
2-(4-benzylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109171652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).