N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C17H16F3N3O2 — CID 131941411

IUPACN-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C17H16F3N3O2/c1-10(2)22-15(24)11-3-6-13(7-4-11)23-16(25)12-5-8-14(21-9-12)17(18,19)20/h3-10H,1-2H3,(H,22,24)(H,23,25)
InChIKeyVDJDYHQSDKBIMA-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.49
Rot. Bonds4

About N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 131941411) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID131941411
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC NameN-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C17H16F3N3O2/c1-10(2)22-15(24)11-3-6-13(7-4-11)23-16(25)12-5-8-14(21-9-12)17(18,19)20/h3-10H,1-2H3,(H,22,24)(H,23,25)
InChIKeyVDJDYHQSDKBIMA-UHFFFAOYSA-N
XLogP3.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43055984
N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33174489
N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64794112
N-[(2S,3S)-3-methylpentan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 94663314
N-(4-methylpent-1-yn-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 114202428
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407
N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33163993
N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 104872787
N-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33167941
N-[4-(1,2,4-triazol-1-yl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 37120372
N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 26157561
N-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43424634

Frequently Asked Questions

What is the IUPAC name of N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 131941411) is N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is CC(C)NC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1.
What is the InChIKey of N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is VDJDYHQSDKBIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-10(2)22-15(24)11-3-6-13(7-4-11)23-16(25)12-5-8-14(21-9-12)17(18,19)20/h3-10H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 351.33 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 131941411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).