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

C17H17ClF3N3O — CID 109202636

IUPACN-butyl-4-[4-chloro-2-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESCCCCNC(=O)c1cc(Nc2ccc(Cl)cc2C(F)(F)F)ccn1
InChIInChI=1S/C17H17ClF3N3O/c1-2-3-7-23-16(25)15-10-12(6-8-22-15)24-14-5-4-11(18)9-13(14)17(19,20)21/h4-6,8-10H,2-3,7H2,1H3,(H,22,24)(H,23,25)
InChIKeyQHRXSJWZIRQRAA-UHFFFAOYSA-N
MW371.79 g/mol
LogP5.03
Rot. Bonds6

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

N-butyl-4-[4-chloro-2-(trifluoromethyl)anilino]pyridine-2-carboxamide (PubChem CID 109202636) has the molecular formula C17H17ClF3N3O and a molecular weight of 371.79 g/mol. Its IUPAC name is N-butyl-4-[4-chloro-2-(trifluoromethyl)anilino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-4-[4-chloro-2-(trifluoromethyl)anilino]pyridine-2-carboxamide
PubChem CID109202636
Molecular FormulaC17H17ClF3N3O
Molecular Weight371.79 g/mol
Exact Mass371.10
IUPAC NameN-butyl-4-[4-chloro-2-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESCCCCNC(=O)c1cc(Nc2ccc(Cl)cc2C(F)(F)F)ccn1
InChIInChI=1S/C17H17ClF3N3O/c1-2-3-7-23-16(25)15-10-12(6-8-22-15)24-14-5-4-11(18)9-13(14)17(19,20)21/h4-6,8-10H,2-3,7H2,1H3,(H,22,24)(H,23,25)
InChIKeyQHRXSJWZIRQRAA-UHFFFAOYSA-N
XLogP5.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.79
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-6-[4-chloro-2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109340173
2-[4-chloro-2-(trifluoromethyl)anilino]-N-pentylpyrimidine-4-carboxamide
CID 109312178
N-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109202632
4-(2,4-dichloroanilino)-N-propylpyridine-2-carboxamide
CID 109201162
5-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184357
4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide
CID 109217523
1-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108888189
5-[4-chloro-2-(trifluoromethyl)anilino]-N-propylpyrazine-2-carboxamide
CID 109270933
N-butyl-4-(4-chloro-2,5-dimethoxyanilino)pyridine-2-carboxamide
CID 109202644
3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109102080
1-N-butyl-3-N-[4-chloro-2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109051222
4-chloro-N-hexylpyridine-2-carboxamide
CID 60656473

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[4-chloro-2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The IUPAC name of N-butyl-4-[4-chloro-2-(trifluoromethyl)anilino]pyridine-2-carboxamide (CID 109202636) is N-butyl-4-[4-chloro-2-(trifluoromethyl)anilino]pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-4-[4-chloro-2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The canonical SMILES for N-butyl-4-[4-chloro-2-(trifluoromethyl)anilino]pyridine-2-carboxamide is CCCCNC(=O)c1cc(Nc2ccc(Cl)cc2C(F)(F)F)ccn1.
What is the InChIKey of N-butyl-4-[4-chloro-2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The InChIKey is QHRXSJWZIRQRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O/c1-2-3-7-23-16(25)15-10-12(6-8-22-15)24-14-5-4-11(18)9-13(14)17(19,20)21/h4-6,8-10H,2-3,7H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-butyl-4-[4-chloro-2-(trifluoromethyl)anilino]pyridine-2-carboxamide?
N-butyl-4-[4-chloro-2-(trifluoromethyl)anilino]pyridine-2-carboxamide has a molecular weight of 371.79 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[4-chloro-2-(trifluoromethyl)anilino]pyridine-2-carboxamide is sourced from PubChem (CID 109202636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).