5-(3-chloro-4-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide

C18H21ClFN3O — CID 109196558

IUPAC5-(3-chloro-4-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C18H21ClFN3O/c1-3-9-23(10-4-2)18(24)17-8-6-14(12-21-17)22-13-5-7-16(20)15(19)11-13/h5-8,11-12,22H,3-4,9-10H2,1-2H3
InChIKeyJWHITEPHHAOXOR-UHFFFAOYSA-N
MW349.84 g/mol
LogP4.88
Rot. Bonds7

About 5-(3-chloro-4-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide

5-(3-chloro-4-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide (PubChem CID 109196558) has the molecular formula C18H21ClFN3O and a molecular weight of 349.84 g/mol. Its IUPAC name is 5-(3-chloro-4-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide
PubChem CID109196558
Molecular FormulaC18H21ClFN3O
Molecular Weight349.84 g/mol
Exact Mass349.14
IUPAC Name5-(3-chloro-4-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C18H21ClFN3O/c1-3-9-23(10-4-2)18(24)17-8-6-14(12-21-17)22-13-5-7-16(20)15(19)11-13/h5-8,11-12,22H,3-4,9-10H2,1-2H3
InChIKeyJWHITEPHHAOXOR-UHFFFAOYSA-N
XLogP4.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-chloro-4-fluoroanilino)-N,N-dipropylpyridine-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

N-(3-chloro-4-fluorophenyl)-5-(dipropylamino)pyridine-2-carboxamide
CID 109196641
5-(pentylamino)-N,N-dipropylpyridine-2-carboxamide
CID 109195823
N-(3-chloro-4-fluorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109197511
5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191800
N-butyl-5-(3-chloro-4-methylanilino)-N-methylpyridine-2-carboxamide
CID 109195962
N-(3-chloro-4-fluorophenyl)-5-(3-methylanilino)pyridine-2-carboxamide
CID 109197376
5-(3-chloro-4-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197308
5-(3-chloro-4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190217
5-anilino-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 109197085
N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195858
5-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 109199519
2-(3-chloro-4-fluoroanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109310867

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide?
The IUPAC name of 5-(3-chloro-4-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide (CID 109196558) is 5-(3-chloro-4-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide?
The canonical SMILES for 5-(3-chloro-4-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide is CCCN(CCC)C(=O)c1ccc(Nc2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of 5-(3-chloro-4-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide?
The InChIKey is JWHITEPHHAOXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN3O/c1-3-9-23(10-4-2)18(24)17-8-6-14(12-21-17)22-13-5-7-16(20)15(19)11-13/h5-8,11-12,22H,3-4,9-10H2,1-2H3.
What are the key properties of 5-(3-chloro-4-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide?
5-(3-chloro-4-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide has a molecular weight of 349.84 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide is sourced from PubChem (CID 109196558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).