N-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2,6-dimethylpyridine-3-carboxamide;N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C41H31Cl2F3N10O2 — CID 157235410

IUPACN-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2,6-dimethylpyridine-3-carboxamide;N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)c(Cl)cn2)c(C)n1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(-c2nc3ccccc3n2C)c(Cl)cn1
InChIInChI=1S/C21H15ClF3N5O.C20H16ClN5O/c1-11-12(7-8-17(27-11)21(23,24)25)20(31)29-18-9-13(14(22)10-26-18)19-28-15-5-3-4-6-16(15)30(19)2;1-11-7-8-13(12(2)23-11)20(27)26-18-9-14(15(21)10-22-18)19-24-16-5-3-4-6-17(16)25-19/h3-10H,1-2H3,(H,26,29,31);3-10H,1-2H3,(H,24,25)(H,22,26,27)
InChIKeyAUOQMLIDXHIDIW-UHFFFAOYSA-N
MW823.67 g/mol
LogP9.81
Rot. Bonds6

About N-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2,6-dimethylpyridine-3-carboxamide;N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2,6-dimethylpyridine-3-carboxamide;N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 157235410) has the molecular formula C41H31Cl2F3N10O2 and a molecular weight of 823.67 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2,6-dimethylpyridine-3-carboxamide;N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2,6-dimethylpyridine-3-carboxamide;N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID157235410
Molecular FormulaC41H31Cl2F3N10O2
Molecular Weight823.67 g/mol
Exact Mass822.20
IUPAC NameN-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2,6-dimethylpyridine-3-carboxamide;N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)c(Cl)cn2)c(C)n1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(-c2nc3ccccc3n2C)c(Cl)cn1
InChIInChI=1S/C21H15ClF3N5O.C20H16ClN5O/c1-11-12(7-8-17(27-11)21(23,24)25)20(31)29-18-9-13(14(22)10-26-18)19-28-15-5-3-4-6-16(15)30(19)2;1-11-7-8-13(12(2)23-11)20(27)26-18-9-14(15(21)10-22-18)19-24-16-5-3-4-6-17(16)25-19/h3-10H,1-2H3,(H,26,29,31);3-10H,1-2H3,(H,24,25)(H,22,26,27)
InChIKeyAUOQMLIDXHIDIW-UHFFFAOYSA-N
XLogP9.81
TPSA156.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.67
LogP ≤ 59.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2,6-dimethylpyridine-3-carboxamide;N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

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US10081629, Example 35
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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2,6-dimethylpyridine-3-carboxamide;N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2,6-dimethylpyridine-3-carboxamide;N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 157235410) is N-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2,6-dimethylpyridine-3-carboxamide;N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2,6-dimethylpyridine-3-carboxamide;N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2,6-dimethylpyridine-3-carboxamide;N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)c(Cl)cn2)c(C)n1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(-c2nc3ccccc3n2C)c(Cl)cn1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2,6-dimethylpyridine-3-carboxamide;N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is AUOQMLIDXHIDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N5O.C20H16ClN5O/c1-11-12(7-8-17(27-11)21(23,24)25)20(31)29-18-9-13(14(22)10-26-18)19-28-15-5-3-4-6-16(15)30(19)2;1-11-7-8-13(12(2)23-11)20(27)26-18-9-14(15(21)10-22-18)19-24-16-5-3-4-6-17(16)25-19/h3-10H,1-2H3,(H,26,29,31);3-10H,1-2H3,(H,24,25)(H,22,26,27).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2,6-dimethylpyridine-3-carboxamide;N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2,6-dimethylpyridine-3-carboxamide;N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 823.67 g/mol, XLogP of 9.81, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-2,6-dimethylpyridine-3-carboxamide;N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 157235410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).