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

C26H26ClN3O2 — CID 46068341

IUPAC2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C26H26ClN3O2/c1-17-6-5-7-20(16-17)29-25(31)22-11-10-18(2)28-24(22)19-12-14-30(15-13-19)26(32)21-8-3-4-9-23(21)27/h3-11,16,19H,12-15H2,1-2H3,(H,29,31)
InChIKeyXOAYLYZYXYVSGO-UHFFFAOYSA-N
MW447.97 g/mol
LogP5.62
Rot. Bonds4

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

2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide (PubChem CID 46068341) has the molecular formula C26H26ClN3O2 and a molecular weight of 447.97 g/mol. Its IUPAC name is 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
PubChem CID46068341
Molecular FormulaC26H26ClN3O2
Molecular Weight447.97 g/mol
Exact Mass447.17
IUPAC Name2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C26H26ClN3O2/c1-17-6-5-7-20(16-17)29-25(31)22-11-10-18(2)28-24(22)19-12-14-30(15-13-19)26(32)21-8-3-4-9-23(21)27/h3-11,16,19H,12-15H2,1-2H3,(H,29,31)
InChIKeyXOAYLYZYXYVSGO-UHFFFAOYSA-N
XLogP5.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.97
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-phenylpyridine-3-carboxamide
CID 46044675
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 83287460
N-(3-methoxyphenyl)-6-methyl-2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 46068395
N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42868039
2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42868016
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 42867410
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42851966
(4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 46044756
[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46068543
2-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867314
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42852242
4-[5-[1-(2-methylbenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-(3-methylphenyl)benzamide
CID 53131857

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide (CID 46068341) is 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide is Cc1cccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)c3ccccc3Cl)CC2)c1.
What is the InChIKey of 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is XOAYLYZYXYVSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O2/c1-17-6-5-7-20(16-17)29-25(31)22-11-10-18(2)28-24(22)19-12-14-30(15-13-19)26(32)21-8-3-4-9-23(21)27/h3-11,16,19H,12-15H2,1-2H3,(H,29,31).
What are the key properties of 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide?
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 447.97 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 46068341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).