2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-phenylpyridine-3-carboxamide

C25H23F2N3O2 — CID 46044675

IUPAC2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-phenylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2)c(C2CCN(C(=O)c3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C25H23F2N3O2/c1-16-7-9-21(24(31)29-19-5-3-2-4-6-19)23(28-16)17-11-13-30(14-12-17)25(32)20-10-8-18(26)15-22(20)27/h2-10,15,17H,11-14H2,1H3,(H,29,31)
InChIKeyJQWXKTWASVYJLT-UHFFFAOYSA-N
MW435.47 g/mol
LogP4.94
Rot. Bonds4

About 2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-phenylpyridine-3-carboxamide

2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-phenylpyridine-3-carboxamide (PubChem CID 46044675) has the molecular formula C25H23F2N3O2 and a molecular weight of 435.47 g/mol. Its IUPAC name is 2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-phenylpyridine-3-carboxamide
PubChem CID46044675
Molecular FormulaC25H23F2N3O2
Molecular Weight435.47 g/mol
Exact Mass435.18
IUPAC Name2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-phenylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2)c(C2CCN(C(=O)c3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C25H23F2N3O2/c1-16-7-9-21(24(31)29-19-5-3-2-4-6-19)23(28-16)17-11-13-30(14-12-17)25(32)20-10-8-18(26)15-22(20)27/h2-10,15,17H,11-14H2,1H3,(H,29,31)
InChIKeyJQWXKTWASVYJLT-UHFFFAOYSA-N
XLogP4.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 54.94
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-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 46068506
N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42868039
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 46068341
2-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867314
[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46068543
N-(3-methoxyphenyl)-6-methyl-2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 46068395
(3-fluorophenyl)-[4-[6-methyl-3-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852061
4-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)-6-methyl-2-pyridinyl]-N-phenylpiperidine-1-carboxamide
CID 42867446
2-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 46069044
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42851966
1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 42868116
2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 42851947

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-phenylpyridine-3-carboxamide (CID 46044675) is 2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-phenylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccccc2)c(C2CCN(C(=O)c3ccc(F)cc3F)CC2)n1.
What is the InChIKey of 2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-phenylpyridine-3-carboxamide?
The InChIKey is JQWXKTWASVYJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O2/c1-16-7-9-21(24(31)29-19-5-3-2-4-6-19)23(28-16)17-11-13-30(14-12-17)25(32)20-10-8-18(26)15-22(20)27/h2-10,15,17H,11-14H2,1H3,(H,29,31).
What are the key properties of 2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-phenylpyridine-3-carboxamide?
2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-phenylpyridine-3-carboxamide has a molecular weight of 435.47 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 46044675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).