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

C25H29F3N4O2 — CID 72703210

IUPACN-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(CN2CCC(C(=O)NC3CCCC3)CC2)c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H29F3N4O2/c26-25(27,28)22-10-4-9-21(31-22)24(34)30-20-8-3-5-17(15-20)16-32-13-11-18(12-14-32)23(33)29-19-6-1-2-7-19/h3-5,8-10,15,18-19H,1-2,6-7,11-14,16H2,(H,29,33)(H,30,34)
InChIKeyUPNCHJIULVXTQB-UHFFFAOYSA-N
MW474.53 g/mol
LogP4.62
Rot. Bonds6

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

N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 72703210) has the molecular formula C25H29F3N4O2 and a molecular weight of 474.53 g/mol. Its IUPAC name is N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID72703210
Molecular FormulaC25H29F3N4O2
Molecular Weight474.53 g/mol
Exact Mass474.22
IUPAC NameN-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(CN2CCC(C(=O)NC3CCCC3)CC2)c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H29F3N4O2/c26-25(27,28)22-10-4-9-21(31-22)24(34)30-20-8-3-5-17(15-20)16-32-13-11-18(12-14-32)23(33)29-19-6-1-2-7-19/h3-5,8-10,15,18-19H,1-2,6-7,11-14,16H2,(H,29,33)(H,30,34)
InChIKeyUPNCHJIULVXTQB-UHFFFAOYSA-N
XLogP4.62
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-(trifluoromethyl)phenyl)pyridine-2-carboxamide
CID 2306530
Azd9574
CID 162524593
Pyridine amide, 32
CID 44237006
4-N-cyclopropyl-2-N-methyl-6-[(1S)-1-phenylethyl]pyridine-2,4-dicarboxamide
CID 132185545
6-benzyl-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
CID 132186011
(2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-2,5-dioxo-6-pentan-3-ylpiperazin-1-yl]-2-(2,6-dimethyl-3-pyridinyl)-N,N-dimethylacetamide
CID 11554957
N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 11676638
(2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-2,5-dioxo-6-pentan-3-ylpiperazin-1-yl]-2-(2,6-dimethyl-3-pyridinyl)-N-methylacetamide
CID 11691437
(2R)-2-{(3R,6R)-3-(2,3-Dihydro-1H-inden-2-yl)-6-[(1S)-1-methylpropyl]-2,5-dioxo-1-piperazinyl}-2-(2,6-dimethyl-3-pyridinyl)-N-methylethanamide
CID 11705315
(2R)-2-[(2R,5R)-2-[(2S)-butan-2-yl]-5-(2,3-dihydro-1H-inden-2-yl)-3,6-dioxopiperazin-1-yl]-2-(2,6-dimethyl-3-pyridinyl)-N,N-dimethylacetamide
CID 11719871
N-(4-((1R,3S)-3-aminocyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide
CID 59226389
N-[2-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]phenyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 118374760

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 72703210) is N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cccc(CN2CCC(C(=O)NC3CCCC3)CC2)c1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is UPNCHJIULVXTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4O2/c26-25(27,28)22-10-4-9-21(31-22)24(34)30-20-8-3-5-17(15-20)16-32-13-11-18(12-14-32)23(33)29-19-6-1-2-7-19/h3-5,8-10,15,18-19H,1-2,6-7,11-14,16H2,(H,29,33)(H,30,34).
What are the key properties of N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 474.53 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 72703210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).