N-[5-(1H-benzimidazol-2-yl)-6-chloro-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;5-nitro-2-oxo-1H-pyridine-3-carboxylic acid;2-oxo-1H-pyridine-3-carboxylic acid

C32H22ClF3N8O9 — CID 157173205

IUPACN-[5-(1H-benzimidazol-2-yl)-6-chloro-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;5-nitro-2-oxo-1H-pyridine-3-carboxylic acid;2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1cnc(Cl)c(-c2nc3ccccc3[nH]2)c1.O=C(O)c1cc([N+](=O)[O-])c[nH]c1=O.O=C(O)c1ccc[nH]c1=O
InChIInChI=1S/C20H13ClF3N5O.C6H4N2O5.C6H5NO3/c1-10-12(6-7-16(26-10)20(22,23)24)19(30)27-11-8-13(17(21)25-9-11)18-28-14-4-2-3-5-15(14)29-18;9-5-4(6(10)11)1-3(2-7-5)8(12)13;8-5-4(6(9)10)2-1-3-7-5/h2-9H,1H3,(H,27,30)(H,28,29);1-2H,(H,7,9)(H,10,11);1-3H,(H,7,8)(H,9,10)
InChIKeyANSDGVXLSXUBRY-UHFFFAOYSA-N
MW755.02 g/mol
LogP5.31
Rot. Bonds6

About N-[5-(1H-benzimidazol-2-yl)-6-chloro-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;5-nitro-2-oxo-1H-pyridine-3-carboxylic acid;2-oxo-1H-pyridine-3-carboxylic acid

N-[5-(1H-benzimidazol-2-yl)-6-chloro-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;5-nitro-2-oxo-1H-pyridine-3-carboxylic acid;2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 157173205) has the molecular formula C32H22ClF3N8O9 and a molecular weight of 755.02 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-6-chloro-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;5-nitro-2-oxo-1H-pyridine-3-carboxylic acid;2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-6-chloro-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;5-nitro-2-oxo-1H-pyridine-3-carboxylic acid;2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID157173205
Molecular FormulaC32H22ClF3N8O9
Molecular Weight755.02 g/mol
Exact Mass754.12
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-6-chloro-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;5-nitro-2-oxo-1H-pyridine-3-carboxylic acid;2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1cnc(Cl)c(-c2nc3ccccc3[nH]2)c1.O=C(O)c1cc([N+](=O)[O-])c[nH]c1=O.O=C(O)c1ccc[nH]c1=O
InChIInChI=1S/C20H13ClF3N5O.C6H4N2O5.C6H5NO3/c1-10-12(6-7-16(26-10)20(22,23)24)19(30)27-11-8-13(17(21)25-9-11)18-28-14-4-2-3-5-15(14)29-18;9-5-4(6(10)11)1-3(2-7-5)8(12)13;8-5-4(6(9)10)2-1-3-7-5/h2-9H,1H3,(H,27,30)(H,28,29);1-2H,(H,7,9)(H,10,11);1-3H,(H,7,8)(H,9,10)
InChIKeyANSDGVXLSXUBRY-UHFFFAOYSA-N
XLogP5.31
TPSA267.02 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500755.02
LogP ≤ 55.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[5-(1H-benzimidazol-2-yl)-6-chloro-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;5-nitro-2-oxo-1H-pyridine-3-carboxylic acid;2-oxo-1H-pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(1H-benzimidazol-2-yl)-6-chloropyridin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 11683442
N-[4-(1H-benzimidazol-2-yl)-5-chloropyridin-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 59515625
N-[5-(1H-benzimidazol-2-yl)-6-chloro-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;methyl 5-amino-2-chloropyridine-3-carboxylate;methyl 2-chloro-5-nitropyridine-3-carboxylate
CID 157360211
N-[4-chloro-3-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-chloro-5-nitropyridin-4-amine
CID 157967670
N-[5-(1H-benzimidazol-2-yl)-6-chloro-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;carbon dioxide;2-chloro-3-methyl-5-nitropyridine;methyl 5-amino-2-chloropyridine-3-carboxylate
CID 159119054
N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-chloro-5-nitropyridin-4-amine;2-N,2-N-dimethyl-5-nitropyridine-2,4-diamine
CID 160366981
N-[5-(1H-benzimidazol-2-yl)-6-chloro-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;bis(carbon dioxide);2-chloro-3-methyl-5-nitropyridine;6-chloro-5-methylpyridin-3-amine
CID 160651282
(E)-but-2-enedioic acid;6-chloro-N-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]pyridine-3-carboxamide
CID 87206336
but-2-enedioic acid;(E)-but-2-enedioic acid;2-chloro-N-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]pyridine-3-carboxamide
CID 88672811
(E)-but-2-enedioic acid;2-chloro-N-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]pyridine-3-carboxamide
CID 89652323
N-(2-amino-5-fluorophenyl)-2-chloro-5-methylpyridine-3-carboxamide;2-chloro-5-methylpyridine-3-carboxylic acid;2-(2-chloro-5-methyl-3-pyridinyl)-6-fluoro-1H-benzimidazole;4-fluorobenzene-1,2-diamine
CID 159987065

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-6-chloro-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;5-nitro-2-oxo-1H-pyridine-3-carboxylic acid;2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-6-chloro-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;5-nitro-2-oxo-1H-pyridine-3-carboxylic acid;2-oxo-1H-pyridine-3-carboxylic acid (CID 157173205) is N-[5-(1H-benzimidazol-2-yl)-6-chloro-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;5-nitro-2-oxo-1H-pyridine-3-carboxylic acid;2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-6-chloro-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;5-nitro-2-oxo-1H-pyridine-3-carboxylic acid;2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-6-chloro-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;5-nitro-2-oxo-1H-pyridine-3-carboxylic acid;2-oxo-1H-pyridine-3-carboxylic acid is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cnc(Cl)c(-c2nc3ccccc3[nH]2)c1.O=C(O)c1cc([N+](=O)[O-])c[nH]c1=O.O=C(O)c1ccc[nH]c1=O.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-6-chloro-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;5-nitro-2-oxo-1H-pyridine-3-carboxylic acid;2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is ANSDGVXLSXUBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N5O.C6H4N2O5.C6H5NO3/c1-10-12(6-7-16(26-10)20(22,23)24)19(30)27-11-8-13(17(21)25-9-11)18-28-14-4-2-3-5-15(14)29-18;9-5-4(6(10)11)1-3(2-7-5)8(12)13;8-5-4(6(9)10)2-1-3-7-5/h2-9H,1H3,(H,27,30)(H,28,29);1-2H,(H,7,9)(H,10,11);1-3H,(H,7,8)(H,9,10).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-6-chloro-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;5-nitro-2-oxo-1H-pyridine-3-carboxylic acid;2-oxo-1H-pyridine-3-carboxylic acid?
N-[5-(1H-benzimidazol-2-yl)-6-chloro-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;5-nitro-2-oxo-1H-pyridine-3-carboxylic acid;2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 755.02 g/mol, XLogP of 5.31, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-6-chloro-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;5-nitro-2-oxo-1H-pyridine-3-carboxylic acid;2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 157173205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).