N-[1-[1-(4-chloro-3-methylphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-4-carboxamide

C25H26Cl2F3N5O — CID 143654451

IUPACN-[1-[1-(4-chloro-3-methylphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-4-carboxamide
SMILESCc1cc(N2CCC(C(Cn3nc(C(F)(F)F)c(Cl)c3C)NC(=O)c3ccncc3)CC2)ccc1Cl
InChIInChI=1S/C25H26Cl2F3N5O/c1-15-13-19(3-4-20(15)26)34-11-7-17(8-12-34)21(32-24(36)18-5-9-31-10-6-18)14-35-16(2)22(27)23(33-35)25(28,29)30/h3-6,9-10,13,17,21H,7-8,11-12,14H2,1-2H3,(H,32,36)
InChIKeyAGGIYKVUSGUCLD-UHFFFAOYSA-N
MW540.42 g/mol
LogP5.94
Rot. Bonds6

About N-[1-[1-(4-chloro-3-methylphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-4-carboxamide

N-[1-[1-(4-chloro-3-methylphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-4-carboxamide (PubChem CID 143654451) has the molecular formula C25H26Cl2F3N5O and a molecular weight of 540.42 g/mol. Its IUPAC name is N-[1-[1-(4-chloro-3-methylphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(4-chloro-3-methylphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-4-carboxamide
PubChem CID143654451
Molecular FormulaC25H26Cl2F3N5O
Molecular Weight540.42 g/mol
Exact Mass539.15
IUPAC NameN-[1-[1-(4-chloro-3-methylphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-4-carboxamide
SMILESCc1cc(N2CCC(C(Cn3nc(C(F)(F)F)c(Cl)c3C)NC(=O)c3ccncc3)CC2)ccc1Cl
InChIInChI=1S/C25H26Cl2F3N5O/c1-15-13-19(3-4-20(15)26)34-11-7-17(8-12-34)21(32-24(36)18-5-9-31-10-6-18)14-35-16(2)22(27)23(33-35)25(28,29)30/h3-6,9-10,13,17,21H,7-8,11-12,14H2,1-2H3,(H,32,36)
InChIKeyAGGIYKVUSGUCLD-UHFFFAOYSA-N
XLogP5.94
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.42
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[[6-(1H-pyrazol-5-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10694660
5H-1-benzazepin-5-ylidene acetamide, 10d
CID 44520874
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 164614581
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide
CID 164624443
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide
CID 164624692
1-(4-Chloro-phenyl)-1H-pyrazole-3,5-dicarboxylic acid 5-phenylamide 3-[(pyridin-3-ylmethyl)-amide]
CID 10048413
N-[4-[3-(Trifluoromethyl)-5-chloro-1H-pyrazole-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
CID 10715078
6-Chloro-N-(2-(1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamido)ethyl)nicotinamide
CID 46885190
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(3-pyridinylmethyl)-1H-pyrazol-4-yl]acetamide
CID 46887252
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 118146884
(9R,13S)-13-[4-(3-chloro-2,6-difluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one
CID 118285729
N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide
CID 121317981

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-chloro-3-methylphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-[1-(4-chloro-3-methylphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-4-carboxamide (CID 143654451) is N-[1-[1-(4-chloro-3-methylphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[1-(4-chloro-3-methylphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[1-(4-chloro-3-methylphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-4-carboxamide is Cc1cc(N2CCC(C(Cn3nc(C(F)(F)F)c(Cl)c3C)NC(=O)c3ccncc3)CC2)ccc1Cl.
What is the InChIKey of N-[1-[1-(4-chloro-3-methylphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is AGGIYKVUSGUCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2F3N5O/c1-15-13-19(3-4-20(15)26)34-11-7-17(8-12-34)21(32-24(36)18-5-9-31-10-6-18)14-35-16(2)22(27)23(33-35)25(28,29)30/h3-6,9-10,13,17,21H,7-8,11-12,14H2,1-2H3,(H,32,36).
What are the key properties of N-[1-[1-(4-chloro-3-methylphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-4-carboxamide?
N-[1-[1-(4-chloro-3-methylphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 540.42 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-chloro-3-methylphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 143654451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).