N-[4-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide

C27H24F3N5O3 — CID 171681554

IUPACN-[4-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(c3ccc(NC(=O)c4cccc5[nH]c(C(F)(F)F)nc45)cc3)CC2)cn1
InChIInChI=1S/C27H24F3N5O3/c1-38-22-10-7-18(15-31-22)25(37)35-13-11-17(12-14-35)16-5-8-19(9-6-16)32-24(36)20-3-2-4-21-23(20)34-26(33-21)27(28,29)30/h2-10,15,17H,11-14H2,1H3,(H,32,36)(H,33,34)
InChIKeyYJNHPSBHBAFOHP-UHFFFAOYSA-N
MW523.52 g/mol
LogP5.26
Rot. Bonds5

About N-[4-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide

N-[4-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide (PubChem CID 171681554) has the molecular formula C27H24F3N5O3 and a molecular weight of 523.52 g/mol. Its IUPAC name is N-[4-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
PubChem CID171681554
Molecular FormulaC27H24F3N5O3
Molecular Weight523.52 g/mol
Exact Mass523.18
IUPAC NameN-[4-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(c3ccc(NC(=O)c4cccc5[nH]c(C(F)(F)F)nc45)cc3)CC2)cn1
InChIInChI=1S/C27H24F3N5O3/c1-38-22-10-7-18(15-31-22)25(37)35-13-11-17(12-14-35)16-5-8-19(9-6-16)32-24(36)20-3-2-4-21-23(20)34-26(33-21)27(28,29)30/h2-10,15,17H,11-14H2,1H3,(H,32,36)(H,33,34)
InChIKeyYJNHPSBHBAFOHP-UHFFFAOYSA-N
XLogP5.26
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.52
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-(6-tert-butylpyridine-3-carbonyl)piperidin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 171683402
ethyl 2-fluoro-3-[[4-[1-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)piperidin-4-yl]phenyl]carbamoyl]benzoate
CID 171681767
(3S)-3-[4-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]phenyl]pyrrolidine-1-carboxylic acid
CID 151388230
[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95218046
(6-methoxy-3-pyridinyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 154737928
N-[4-[1-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]piperidin-4-yl]phenyl]-1,8-naphthyridine-4-carboxamide
CID 171681681
N-[4-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]phenyl]-7-fluoro-2H-indazole-3-carboxamide
CID 171685415
3-(4-methylphenoxy)-N-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]phenyl]propanamide
CID 171681569
N-[4-[1-[4-(1H-benzimidazol-2-yl)benzoyl]piperidin-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171684559
2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide
CID 171685751
(E)-3-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]prop-2-enamide
CID 171685144
N-[4-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 171683860

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[4-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide (CID 171681554) is N-[4-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[4-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[4-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide is COc1ccc(C(=O)N2CCC(c3ccc(NC(=O)c4cccc5[nH]c(C(F)(F)F)nc45)cc3)CC2)cn1.
What is the InChIKey of N-[4-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is YJNHPSBHBAFOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5O3/c1-38-22-10-7-18(15-31-22)25(37)35-13-11-17(12-14-35)16-5-8-19(9-6-16)32-24(36)20-3-2-4-21-23(20)34-26(33-21)27(28,29)30/h2-10,15,17H,11-14H2,1H3,(H,32,36)(H,33,34).
What are the key properties of N-[4-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide?
N-[4-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 523.52 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 171681554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).