N-cyclopropyl-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide

C16H14F3N3O — CID 109201821

IUPACN-cyclopropyl-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESO=C(NC1CC1)c1cc(Nc2ccc(C(F)(F)F)cc2)ccn1
InChIInChI=1S/C16H14F3N3O/c17-16(18,19)10-1-3-11(4-2-10)21-13-7-8-20-14(9-13)15(23)22-12-5-6-12/h1-4,7-9,12H,5-6H2,(H,20,21)(H,22,23)
InChIKeyXUCKMRZYXJGRKD-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.74
Rot. Bonds4

About N-cyclopropyl-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide

N-cyclopropyl-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide (PubChem CID 109201821) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
PubChem CID109201821
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC NameN-cyclopropyl-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESO=C(NC1CC1)c1cc(Nc2ccc(C(F)(F)F)cc2)ccn1
InChIInChI=1S/C16H14F3N3O/c17-16(18,19)10-1-3-11(4-2-10)21-13-7-8-20-14(9-13)15(23)22-12-5-6-12/h1-4,7-9,12H,5-6H2,(H,20,21)(H,22,23)
InChIKeyXUCKMRZYXJGRKD-UHFFFAOYSA-N
XLogP3.74
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-acetylanilino)-N-cyclopropylpyridine-2-carboxamide
CID 109201823
4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204096
2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109081616
4-(3-bromoanilino)-N-cyclopropylpyridine-2-carboxamide
CID 109201843
4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109217173
N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109221654
N-cyclopentyl-5-[4-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109274017
1-[4-[4-[4-(trifluoromethyl)anilino]pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209109
N-cycloheptyl-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109217095
N-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide
CID 109204867
N-cyclohexyl-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109364049
N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109213049

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide (CID 109201821) is N-cyclopropyl-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide is O=C(NC1CC1)c1cc(Nc2ccc(C(F)(F)F)cc2)ccn1.
What is the InChIKey of N-cyclopropyl-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The InChIKey is XUCKMRZYXJGRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O/c17-16(18,19)10-1-3-11(4-2-10)21-13-7-8-20-14(9-13)15(23)22-12-5-6-12/h1-4,7-9,12H,5-6H2,(H,20,21)(H,22,23).
What are the key properties of N-cyclopropyl-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide?
N-cyclopropyl-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide has a molecular weight of 321.30 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide is sourced from PubChem (CID 109201821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).