N-[(2,4-dimethylphenyl)carbamoyl]-4-(trifluoromethyl)pyridine-3-carboxamide

C16H14F3N3O2 — CID 2727060

IUPACN-[(2,4-dimethylphenyl)carbamoyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)NC(=O)c2cnccc2C(F)(F)F)c(C)c1
InChIInChI=1S/C16H14F3N3O2/c1-9-3-4-13(10(2)7-9)21-15(24)22-14(23)11-8-20-6-5-12(11)16(17,18)19/h3-8H,1-2H3,(H2,21,22,23,24)
InChIKeyLMRFFPKUKHLYLJ-UHFFFAOYSA-N
MW337.30 g/mol
LogP3.68
Rot. Bonds2

About N-[(2,4-dimethylphenyl)carbamoyl]-4-(trifluoromethyl)pyridine-3-carboxamide

N-[(2,4-dimethylphenyl)carbamoyl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2727060) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamoyl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamoyl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2727060
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC NameN-[(2,4-dimethylphenyl)carbamoyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)NC(=O)c2cnccc2C(F)(F)F)c(C)c1
InChIInChI=1S/C16H14F3N3O2/c1-9-3-4-13(10(2)7-9)21-15(24)22-14(23)11-8-20-6-5-12(11)16(17,18)19/h3-8H,1-2H3,(H2,21,22,23,24)
InChIKeyLMRFFPKUKHLYLJ-UHFFFAOYSA-N
XLogP3.68
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2727060) is N-[(2,4-dimethylphenyl)carbamoyl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamoyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamoyl]-4-(trifluoromethyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)NC(=O)c2cnccc2C(F)(F)F)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamoyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is LMRFFPKUKHLYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c1-9-3-4-13(10(2)7-9)21-15(24)22-14(23)11-8-20-6-5-12(11)16(17,18)19/h3-8H,1-2H3,(H2,21,22,23,24).
What are the key properties of N-[(2,4-dimethylphenyl)carbamoyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[(2,4-dimethylphenyl)carbamoyl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 337.30 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)carbamoyl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2727060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).