4-phenyl-2-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide

C17H12F3N3O — CID 175244120

IUPAC4-phenyl-2-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1c(-c2ccc[nH]2)ncc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)11-9-23-15(12-7-4-8-22-12)14(16(21)24)13(11)10-5-2-1-3-6-10/h1-9,22H,(H2,21,24)
InChIKeyRLCPNLCGLMUJKU-UHFFFAOYSA-N
MW331.30 g/mol
LogP3.86
Rot. Bonds3

About 4-phenyl-2-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide

4-phenyl-2-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 175244120) has the molecular formula C17H12F3N3O and a molecular weight of 331.30 g/mol. Its IUPAC name is 4-phenyl-2-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-phenyl-2-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID175244120
Molecular FormulaC17H12F3N3O
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC Name4-phenyl-2-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1c(-c2ccc[nH]2)ncc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)11-9-23-15(12-7-4-8-22-12)14(16(21)24)13(11)10-5-2-1-3-6-10/h1-9,22H,(H2,21,24)
InChIKeyRLCPNLCGLMUJKU-UHFFFAOYSA-N
XLogP3.86
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-phenyl-5-(trifluoromethyl)pyridin-3-amine
CID 174629895
2-(4-ethylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
CID 141120001
3-(1H-imidazol-2-ylamino)-2-phenyl-5-(trifluoromethyl)benzamide
CID 69464674
2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 542065
6-chloro-2-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyridine
CID 175273250
1,3-dimethyl-5-[2-phenyl-6-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 174542850
4-(1H-pyrrol-2-yl)pyrimidine-5-carboxylic acid
CID 83697515
2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 15587573
2-(methylamino)-3-phenyl-4-(trifluoromethyl)benzamide
CID 170343404
carboxy-[2-phenyl-3,5-bis(trifluoromethyl)phenyl]carbamic acid
CID 170561578
4-tert-butyl-2-carbamoyl-3-phenylbenzoic acid
CID 67676962
2-phenyl-1H-pyrrole-3-carboxamide
CID 57029978

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 4-phenyl-2-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 175244120) is 4-phenyl-2-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-phenyl-2-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-phenyl-2-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1c(-c2ccc[nH]2)ncc(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of 4-phenyl-2-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is RLCPNLCGLMUJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O/c18-17(19,20)11-9-23-15(12-7-4-8-22-12)14(16(21)24)13(11)10-5-2-1-3-6-10/h1-9,22H,(H2,21,24).
What are the key properties of 4-phenyl-2-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide?
4-phenyl-2-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 331.30 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 175244120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).