2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide

C26H26ClFN4O2 — CID 42852242

IUPAC2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(F)cc2)c(C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C26H26ClFN4O2/c1-17-5-10-23(25(33)29-16-18-6-8-21(28)9-7-18)24(30-17)19-11-13-32(14-12-19)26(34)31-22-4-2-3-20(27)15-22/h2-10,15,19H,11-14,16H2,1H3,(H,29,33)(H,31,34)
InChIKeyRTQMQNSZKWPVNY-UHFFFAOYSA-N
MW480.97 g/mol
LogP5.52
Rot. Bonds5

About 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide

2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide (PubChem CID 42852242) has the molecular formula C26H26ClFN4O2 and a molecular weight of 480.97 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
PubChem CID42852242
Molecular FormulaC26H26ClFN4O2
Molecular Weight480.97 g/mol
Exact Mass480.17
IUPAC Name2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(F)cc2)c(C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C26H26ClFN4O2/c1-17-5-10-23(25(33)29-16-18-6-8-21(28)9-7-18)24(30-17)19-11-13-32(14-12-19)26(34)31-22-4-2-3-20(27)15-22/h2-10,15,19H,11-14,16H2,1H3,(H,29,33)(H,31,34)
InChIKeyRTQMQNSZKWPVNY-UHFFFAOYSA-N
XLogP5.52
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.97
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 83287460
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 42867410
N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868042
N-[(4-fluorophenyl)methyl]-2-[1-(3-methoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42852023
2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46069124
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2-[1-(phenylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42867402
N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46044834
1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide
CID 43815719
(3S)-1-N-(3-chlorophenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
CID 95087875
2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 46068506
2-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 46069044
2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46068699

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide (CID 42852242) is 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCc2ccc(F)cc2)c(C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is RTQMQNSZKWPVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN4O2/c1-17-5-10-23(25(33)29-16-18-6-8-21(28)9-7-18)24(30-17)19-11-13-32(14-12-19)26(34)31-22-4-2-3-20(27)15-22/h2-10,15,19H,11-14,16H2,1H3,(H,29,33)(H,31,34).
What are the key properties of 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide?
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 480.97 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 42852242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).