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

C21H15ClF3N5O — CID 59515635

IUPACN-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(-c2nc3ccccc3n2C)c(Cl)cn1
InChIInChI=1S/C21H15ClF3N5O/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/h3-10H,1-2H3,(H,26,29,31)
InChIKeyZJIBAKCSPWKOLF-UHFFFAOYSA-N
MW445.83 g/mol
LogP5.26
Rot. Bonds3

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

N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 59515635) has the molecular formula C21H15ClF3N5O and a molecular weight of 445.83 g/mol. Its IUPAC name is N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID59515635
Molecular FormulaC21H15ClF3N5O
Molecular Weight445.83 g/mol
Exact Mass445.09
IUPAC NameN-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(-c2nc3ccccc3n2C)c(Cl)cn1
InChIInChI=1S/C21H15ClF3N5O/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/h3-10H,1-2H3,(H,26,29,31)
InChIKeyZJIBAKCSPWKOLF-UHFFFAOYSA-N
XLogP5.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.83
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 59515635) is N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(-c2nc3ccccc3n2C)c(Cl)cn1.
What is the InChIKey of N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ZJIBAKCSPWKOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N5O/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/h3-10H,1-2H3,(H,26,29,31).
What are the key properties of N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 445.83 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 59515635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).