5-(4-benzylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide

C26H29N3O — CID 109231990

IUPAC5-(4-benzylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1cncc(N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C26H29N3O/c1-20-7-5-6-10-23(20)18-28-26(30)24-16-25(19-27-17-24)29-13-11-22(12-14-29)15-21-8-3-2-4-9-21/h2-10,16-17,19,22H,11-15,18H2,1H3,(H,28,30)
InChIKeyRVOHTBHCXHXTLO-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.78
Rot. Bonds6

About 5-(4-benzylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide

5-(4-benzylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109231990) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID109231990
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name5-(4-benzylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1cncc(N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C26H29N3O/c1-20-7-5-6-10-23(20)18-28-26(30)24-16-25(19-27-17-24)29-13-11-22(12-14-29)15-21-8-3-2-4-9-21/h2-10,16-17,19,22H,11-15,18H2,1H3,(H,28,30)
InChIKeyRVOHTBHCXHXTLO-UHFFFAOYSA-N
XLogP4.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)methyl]-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228561
5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 82535114
5-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide
CID 109223634
[5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226329
5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide
CID 109240243
ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109231667
(4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone
CID 109228617
5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232264
N-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226461
3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103889
5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231985
5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109230257

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide (CID 109231990) is 5-(4-benzylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide is Cc1ccccc1CNC(=O)c1cncc(N2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is RVOHTBHCXHXTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-20-7-5-6-10-23(20)18-28-26(30)24-16-25(19-27-17-24)29-13-11-22(12-14-29)15-21-8-3-2-4-9-21/h2-10,16-17,19,22H,11-15,18H2,1H3,(H,28,30).
What are the key properties of 5-(4-benzylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
5-(4-benzylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109231990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).