N-(2-chloro-4-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide

C15H15ClFN3O — CID 81237149

IUPACN-(2-chloro-4-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H15ClFN3O/c1-2-6-19-13-5-7-18-9-11(13)15(21)20-14-4-3-10(17)8-12(14)16/h3-5,7-9H,2,6H2,1H3,(H,18,19)(H,20,21)
InChIKeyIFTUTVZCZJGFIY-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.95
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide

N-(2-chloro-4-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide (PubChem CID 81237149) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide
PubChem CID81237149
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H15ClFN3O/c1-2-6-19-13-5-7-18-9-11(13)15(21)20-14-4-3-10(17)8-12(14)16/h3-5,7-9H,2,6H2,1H3,(H,18,19)(H,20,21)
InChIKeyIFTUTVZCZJGFIY-UHFFFAOYSA-N
XLogP3.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-iodophenyl)-4-(propylamino)pyridine-3-carboxamide
CID 107606051
N-(2,5-dichlorophenyl)-4-(propylamino)pyridine-3-carboxamide
CID 81237097
N-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide
CID 107370476
4-(ethylamino)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 81236730
N-(4,6-dimethylpyrimidin-2-yl)-4-(propylamino)pyridine-3-carboxamide
CID 81239346
5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)benzamide
CID 62166687
N-(2-methyl-4-pyridinyl)-4-(propylamino)pyridine-3-carboxamide
CID 81245840
N-(5-methyl-3-pyridinyl)-4-(propylamino)pyridine-3-carboxamide
CID 107586622
N-(2-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484973
5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114922085
4-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 81236169
4-(propylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide
CID 81244963

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide (CID 81237149) is N-(2-chloro-4-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide is CCCNc1ccncc1C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is IFTUTVZCZJGFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-2-6-19-13-5-7-18-9-11(13)15(21)20-14-4-3-10(17)8-12(14)16/h3-5,7-9H,2,6H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide?
N-(2-chloro-4-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide has a molecular weight of 307.76 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81237149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).