2-methyl-N-[4-methyl-3-(4-methyl-2-pyridinyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C21H18F3N3O — CID 170123306

IUPAC2-methyl-N-[4-methyl-3-(4-methyl-2-pyridinyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccnc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2C)c1
InChIInChI=1S/C21H18F3N3O/c1-12-8-9-25-18(10-12)17-11-15(5-4-13(17)2)27-20(28)16-6-7-19(21(22,23)24)26-14(16)3/h4-11H,1-3H3,(H,27,28)
InChIKeyHJVKHMQZHRLVKC-UHFFFAOYSA-N
MW385.39 g/mol
LogP5.34
Rot. Bonds3

About 2-methyl-N-[4-methyl-3-(4-methyl-2-pyridinyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

2-methyl-N-[4-methyl-3-(4-methyl-2-pyridinyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 170123306) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-3-(4-methyl-2-pyridinyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-3-(4-methyl-2-pyridinyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID170123306
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC Name2-methyl-N-[4-methyl-3-(4-methyl-2-pyridinyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccnc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2C)c1
InChIInChI=1S/C21H18F3N3O/c1-12-8-9-25-18(10-12)17-11-15(5-4-13(17)2)27-20(28)16-6-7-19(21(22,23)24)26-14(16)3/h4-11H,1-3H3,(H,27,28)
InChIKeyHJVKHMQZHRLVKC-UHFFFAOYSA-N
XLogP5.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31847359
6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
CID 86603991
N-(3-acetyl-4-chlorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69235352
N-(4-acetylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 71898029
2-methyl-6-(trifluoromethyl)-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 31883802
N-(4-chloro-3-pyrazol-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 45485749
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 90403576
N-(3-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31853978
1-[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-2-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-N,N-dimethylmethanamine oxide
CID 143198901
N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 16730636
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 11502886
2-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 71891348

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-3-(4-methyl-2-pyridinyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-methyl-3-(4-methyl-2-pyridinyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 170123306) is 2-methyl-N-[4-methyl-3-(4-methyl-2-pyridinyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-3-(4-methyl-2-pyridinyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-methyl-3-(4-methyl-2-pyridinyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1ccnc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2C)c1.
What is the InChIKey of 2-methyl-N-[4-methyl-3-(4-methyl-2-pyridinyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is HJVKHMQZHRLVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O/c1-12-8-9-25-18(10-12)17-11-15(5-4-13(17)2)27-20(28)16-6-7-19(21(22,23)24)26-14(16)3/h4-11H,1-3H3,(H,27,28).
What are the key properties of 2-methyl-N-[4-methyl-3-(4-methyl-2-pyridinyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-methyl-N-[4-methyl-3-(4-methyl-2-pyridinyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-3-(4-methyl-2-pyridinyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 170123306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).