2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide

C13H10F3N3O — CID 12812716

IUPAC2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)8-3-5-9(6-4-8)19-12-10(11(17)20)2-1-7-18-12/h1-7H,(H2,17,20)(H,18,19)
InChIKeyBNOGDBCQVREPNK-UHFFFAOYSA-N
MW281.24 g/mol
LogP2.94
Rot. Bonds3

About 2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide

2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 12812716) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID12812716
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)8-3-5-9(6-4-8)19-12-10(11(17)20)2-1-7-18-12/h1-7H,(H2,17,20)(H,18,19)
InChIKeyBNOGDBCQVREPNK-UHFFFAOYSA-N
XLogP2.94
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 23632776
2-[4-(trifluoromethyl)anilino]benzamide
CID 71461991
2-[4-(1,1-difluoroethyl)anilino]-N'-hydrazinylpyridine-3-carboximidamide;ethane
CID 142468138
3-[(3-carbamoyl-2-pyridinyl)amino]benzoic acid
CID 43358933
2-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 175967809
2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-3-carboxamide
CID 113227750
2-[4-(trifluoromethoxy)anilino]pyridine-3-carbothioamide
CID 28514655
2-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 172773445
2-(trifluoromethyl)pyridine-3-carboxamide
CID 6425058
4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid
CID 107208966
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788
2-(3-nitroanilino)pyridine-3-carboxamide
CID 901913

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 12812716) is 2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide is NC(=O)c1cccnc1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is BNOGDBCQVREPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c14-13(15,16)8-3-5-9(6-4-8)19-12-10(11(17)20)2-1-7-18-12/h1-7H,(H2,17,20)(H,18,19).
What are the key properties of 2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide?
2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 281.24 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 12812716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).