2-[3-[(1,1,1-trifluoro-3-methylbutan-2-yl)carbamoyl]phenyl]pyridine-4-carboxamide

C18H18F3N3O2 — CID 156608630

IUPAC2-[3-[(1,1,1-trifluoro-3-methylbutan-2-yl)carbamoyl]phenyl]pyridine-4-carboxamide
SMILESCC(C)C(NC(=O)c1cccc(-c2cc(C(N)=O)ccn2)c1)C(F)(F)F
InChIInChI=1S/C18H18F3N3O2/c1-10(2)15(18(19,20)21)24-17(26)13-5-3-4-11(8-13)14-9-12(16(22)25)6-7-23-14/h3-10,15H,1-2H3,(H2,22,25)(H,24,26)
InChIKeyJZULMUPJIIKQBQ-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.16
Rot. Bonds5

About 2-[3-[(1,1,1-trifluoro-3-methylbutan-2-yl)carbamoyl]phenyl]pyridine-4-carboxamide

2-[3-[(1,1,1-trifluoro-3-methylbutan-2-yl)carbamoyl]phenyl]pyridine-4-carboxamide (PubChem CID 156608630) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 2-[3-[(1,1,1-trifluoro-3-methylbutan-2-yl)carbamoyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-[(1,1,1-trifluoro-3-methylbutan-2-yl)carbamoyl]phenyl]pyridine-4-carboxamide
PubChem CID156608630
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name2-[3-[(1,1,1-trifluoro-3-methylbutan-2-yl)carbamoyl]phenyl]pyridine-4-carboxamide
SMILESCC(C)C(NC(=O)c1cccc(-c2cc(C(N)=O)ccn2)c1)C(F)(F)F
InChIInChI=1S/C18H18F3N3O2/c1-10(2)15(18(19,20)21)24-17(26)13-5-3-4-11(8-13)14-9-12(16(22)25)6-7-23-14/h3-10,15H,1-2H3,(H2,22,25)(H,24,26)
InChIKeyJZULMUPJIIKQBQ-UHFFFAOYSA-N
XLogP3.16
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 91011243
3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide
CID 30827773
N-propan-2-yl-2-pyridazin-4-ylpyridine-4-carboxamide
CID 155914034
2-[(3-carbamoylbenzoyl)amino]-3-methylbutanoic acid
CID 60859011
2-(3-fluoro-5-methylphenyl)-N-propan-2-ylpyridine-4-carboxamide
CID 77078874
methyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate
CID 113257904
3-N-(1-amino-3-methylbutan-2-yl)benzene-1,3-dicarboxamide
CID 65191392
3-(2-methylphenyl)-3-[[2-(3-phenylphenyl)pyridine-4-carbonyl]amino]propanoic acid
CID 90092943
(2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid
CID 78975452
3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 90303181
3-pyrimidin-4-ylbenzamide
CID 67036490
3-[5-(acetamidomethyl)-2-pyridinyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide
CID 125179850

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1,1,1-trifluoro-3-methylbutan-2-yl)carbamoyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-[3-[(1,1,1-trifluoro-3-methylbutan-2-yl)carbamoyl]phenyl]pyridine-4-carboxamide (CID 156608630) is 2-[3-[(1,1,1-trifluoro-3-methylbutan-2-yl)carbamoyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[3-[(1,1,1-trifluoro-3-methylbutan-2-yl)carbamoyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[3-[(1,1,1-trifluoro-3-methylbutan-2-yl)carbamoyl]phenyl]pyridine-4-carboxamide is CC(C)C(NC(=O)c1cccc(-c2cc(C(N)=O)ccn2)c1)C(F)(F)F.
What is the InChIKey of 2-[3-[(1,1,1-trifluoro-3-methylbutan-2-yl)carbamoyl]phenyl]pyridine-4-carboxamide?
The InChIKey is JZULMUPJIIKQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-10(2)15(18(19,20)21)24-17(26)13-5-3-4-11(8-13)14-9-12(16(22)25)6-7-23-14/h3-10,15H,1-2H3,(H2,22,25)(H,24,26).
What are the key properties of 2-[3-[(1,1,1-trifluoro-3-methylbutan-2-yl)carbamoyl]phenyl]pyridine-4-carboxamide?
2-[3-[(1,1,1-trifluoro-3-methylbutan-2-yl)carbamoyl]phenyl]pyridine-4-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1,1,1-trifluoro-3-methylbutan-2-yl)carbamoyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 156608630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).