N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide

C27H28FN3O2 — CID 42868039

IUPACN-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c(C)c2)c(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C27H28FN3O2/c1-17-4-10-23(16-18(17)2)30-26(32)24-11-5-19(3)29-25(24)20-12-14-31(15-13-20)27(33)21-6-8-22(28)9-7-21/h4-11,16,20H,12-15H2,1-3H3,(H,30,32)
InChIKeyHHQMRWRYEJJGAX-UHFFFAOYSA-N
MW445.54 g/mol
LogP5.42
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide

N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide (PubChem CID 42868039) has the molecular formula C27H28FN3O2 and a molecular weight of 445.54 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
PubChem CID42868039
Molecular FormulaC27H28FN3O2
Molecular Weight445.54 g/mol
Exact Mass445.22
IUPAC NameN-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c(C)c2)c(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C27H28FN3O2/c1-17-4-10-23(16-18(17)2)30-26(32)24-11-5-19(3)29-25(24)20-12-14-31(15-13-20)27(33)21-6-8-22(28)9-7-21/h4-11,16,20H,12-15H2,1-3H3,(H,30,32)
InChIKeyHHQMRWRYEJJGAX-UHFFFAOYSA-N
XLogP5.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 42868116
2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-phenylpyridine-3-carboxamide
CID 46044675
N-(3-methoxyphenyl)-6-methyl-2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 46068395
[4-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 42868099
2-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 46069044
2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 42851947
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 46068341
(4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 46044756
N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 3702850
N-[(4-fluorophenyl)methyl]-2-[1-(3-methoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42852023
2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 46068506
(3-fluorophenyl)-[4-[6-methyl-3-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852061

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide (CID 42868039) is N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(C)c(C)c2)c(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is HHQMRWRYEJJGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O2/c1-17-4-10-23(16-18(17)2)30-26(32)24-11-5-19(3)29-25(24)20-12-14-31(15-13-20)27(33)21-6-8-22(28)9-7-21/h4-11,16,20H,12-15H2,1-3H3,(H,30,32).
What are the key properties of N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide?
N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 42868039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).