N-(3-methoxyphenyl)-6-methyl-2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide

C27H26F3N3O3 — CID 46068395

IUPACN-(3-methoxyphenyl)-6-methyl-2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C27H26F3N3O3/c1-17-6-11-23(25(34)32-21-4-3-5-22(16-21)36-2)24(31-17)18-12-14-33(15-13-18)26(35)19-7-9-20(10-8-19)27(28,29)30/h3-11,16,18H,12-15H2,1-2H3,(H,32,34)
InChIKeyFSKGJJQJDRBJAI-UHFFFAOYSA-N
MW497.52 g/mol
LogP5.69
Rot. Bonds5

About N-(3-methoxyphenyl)-6-methyl-2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide

N-(3-methoxyphenyl)-6-methyl-2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 46068395) has the molecular formula C27H26F3N3O3 and a molecular weight of 497.52 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-methyl-2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-methyl-2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID46068395
Molecular FormulaC27H26F3N3O3
Molecular Weight497.52 g/mol
Exact Mass497.19
IUPAC NameN-(3-methoxyphenyl)-6-methyl-2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C27H26F3N3O3/c1-17-6-11-23(25(34)32-21-4-3-5-22(16-21)36-2)24(31-17)18-12-14-33(15-13-18)26(35)19-7-9-20(10-8-19)27(28,29)30/h3-11,16,18H,12-15H2,1-2H3,(H,32,34)
InChIKeyFSKGJJQJDRBJAI-UHFFFAOYSA-N
XLogP5.69
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.52
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42868039
N-[(4-fluorophenyl)methyl]-2-[1-(3-methoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42852023
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 46068341
[4-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 46068533
[4-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 42867342
2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 42851947
2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42868016
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-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 46044700
N-(4-imidazol-1-ylphenyl)-2-[1-[3-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 3532984
N-(3-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31853978

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-methyl-2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-6-methyl-2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide (CID 46068395) is N-(3-methoxyphenyl)-6-methyl-2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-6-methyl-2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-6-methyl-2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide is COc1cccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-6-methyl-2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is FSKGJJQJDRBJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N3O3/c1-17-6-11-23(25(34)32-21-4-3-5-22(16-21)36-2)24(31-17)18-12-14-33(15-13-18)26(35)19-7-9-20(10-8-19)27(28,29)30/h3-11,16,18H,12-15H2,1-2H3,(H,32,34).
What are the key properties of N-(3-methoxyphenyl)-6-methyl-2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide?
N-(3-methoxyphenyl)-6-methyl-2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 497.52 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-methyl-2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 46068395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).