N-(3-chloro-2-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide

C15H15ClFN3O — CID 62166291

IUPACN-(3-chloro-2-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2cccc(Cl)c2F)cn1
InChIInChI=1S/C15H15ClFN3O/c1-2-8-18-13-7-6-10(9-19-13)15(21)20-12-5-3-4-11(16)14(12)17/h3-7,9H,2,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyWZPMPILEFQHAIR-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.95
Rot. Bonds5

About N-(3-chloro-2-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide

N-(3-chloro-2-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide (PubChem CID 62166291) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide
PubChem CID62166291
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC NameN-(3-chloro-2-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2cccc(Cl)c2F)cn1
InChIInChI=1S/C15H15ClFN3O/c1-2-8-18-13-7-6-10(9-19-13)15(21)20-12-5-3-4-11(16)14(12)17/h3-7,9H,2,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyWZPMPILEFQHAIR-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-(2,3-difluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62181665
N-(2-chloro-5-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 107531151
N-(2-iodophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166866
N-(3-chloro-2-methylphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62186613
6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 62172448
N-(2,6-dibromophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 107603238
N-(3-chloro-2-methylphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158236
N-(3,4-difluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166701
6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109151611
N-(2-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160795
N-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 107616648
N-(3,5-dichloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 107578414

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide (CID 62166291) is N-(3-chloro-2-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide is CCCNc1ccc(C(=O)Nc2cccc(Cl)c2F)cn1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide?
The InChIKey is WZPMPILEFQHAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-2-8-18-13-7-6-10(9-19-13)15(21)20-12-5-3-4-11(16)14(12)17/h3-7,9H,2,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(3-chloro-2-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide?
N-(3-chloro-2-fluorophenyl)-6-(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-(3-chloro-2-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62166291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).