N-[4-chloro-3-(5-methyl-1H-imidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C18H14ClF3N4O — CID 25217563

IUPACN-[4-chloro-3-(5-methyl-1H-imidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cnc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)[nH]1
InChIInChI=1S/C18H14ClF3N4O/c1-9-8-23-16(24-9)13-7-11(3-5-14(13)19)26-17(27)12-4-6-15(18(20,21)22)25-10(12)2/h3-8H,1-2H3,(H,23,24)(H,26,27)
InChIKeyVBFXGGOZUGJMHQ-UHFFFAOYSA-N
MW394.78 g/mol
LogP5.01
Rot. Bonds3

About N-[4-chloro-3-(5-methyl-1H-imidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-chloro-3-(5-methyl-1H-imidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 25217563) has the molecular formula C18H14ClF3N4O and a molecular weight of 394.78 g/mol. Its IUPAC name is N-[4-chloro-3-(5-methyl-1H-imidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-methyl-1H-imidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID25217563
Molecular FormulaC18H14ClF3N4O
Molecular Weight394.78 g/mol
Exact Mass394.08
IUPAC NameN-[4-chloro-3-(5-methyl-1H-imidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cnc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)[nH]1
InChIInChI=1S/C18H14ClF3N4O/c1-9-8-23-16(24-9)13-7-11(3-5-14(13)19)26-17(27)12-4-6-15(18(20,21)22)25-10(12)2/h3-8H,1-2H3,(H,23,24)(H,26,27)
InChIKeyVBFXGGOZUGJMHQ-UHFFFAOYSA-N
XLogP5.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.78
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-methyl-1H-imidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(5-methyl-1H-imidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 25217563) is N-[4-chloro-3-(5-methyl-1H-imidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(5-methyl-1H-imidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(5-methyl-1H-imidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1cnc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)[nH]1.
What is the InChIKey of N-[4-chloro-3-(5-methyl-1H-imidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is VBFXGGOZUGJMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O/c1-9-8-23-16(24-9)13-7-11(3-5-14(13)19)26-17(27)12-4-6-15(18(20,21)22)25-10(12)2/h3-8H,1-2H3,(H,23,24)(H,26,27).
What are the key properties of N-[4-chloro-3-(5-methyl-1H-imidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-chloro-3-(5-methyl-1H-imidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 394.78 g/mol, XLogP of 5.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-methyl-1H-imidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 25217563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).