2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

C28H32N4O2 — CID 46069124

IUPAC2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(C)nc2C2CCN(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C28H32N4O2/c1-20-8-11-23(12-9-20)18-29-27(33)25-13-10-21(2)31-26(25)24-14-16-32(17-15-24)28(34)30-19-22-6-4-3-5-7-22/h3-13,24H,14-19H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyJVLWFBFDFQOOSO-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.72
Rot. Bonds6

About 2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 46069124) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID46069124
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(C)nc2C2CCN(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C28H32N4O2/c1-20-8-11-23(12-9-20)18-29-27(33)25-13-10-21(2)31-26(25)24-14-16-32(17-15-24)28(34)30-19-22-6-4-3-5-7-22/h3-13,24H,14-19H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyJVLWFBFDFQOOSO-UHFFFAOYSA-N
XLogP4.72
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868042
N,6-dimethyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868064
2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46068699
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 83287460
2-[1-(ethylcarbamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867441
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42852242
N-[2-(1H-indol-3-yl)ethyl]-2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 4985140
6-methyl-N-[(2-methylphenyl)methyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46068495
N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868008
2-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46068698
2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 46044678
2-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867314

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (CID 46069124) is 2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2ccc(C)nc2C2CCN(C(=O)NCc3ccccc3)CC2)cc1.
What is the InChIKey of 2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is JVLWFBFDFQOOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-20-8-11-23(12-9-20)18-29-27(33)25-13-10-21(2)31-26(25)24-14-16-32(17-15-24)28(34)30-19-22-6-4-3-5-7-22/h3-13,24H,14-19H2,1-2H3,(H,29,33)(H,30,34).
What are the key properties of 2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 456.59 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 46069124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).