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

C15H15BrFN3O — CID 62166982

IUPACN-(2-bromo-4-fluorophenyl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C15H15BrFN3O/c1-2-7-18-14-11(4-3-8-19-14)15(21)20-13-6-5-10(17)9-12(13)16/h3-6,8-9H,2,7H2,1H3,(H,18,19)(H,20,21)
InChIKeyQKNFHROKEMURRG-UHFFFAOYSA-N
MW352.21 g/mol
LogP4.06
Rot. Bonds5

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

N-(2-bromo-4-fluorophenyl)-2-(propylamino)pyridine-3-carboxamide (PubChem CID 62166982) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-2-(propylamino)pyridine-3-carboxamide
PubChem CID62166982
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC NameN-(2-bromo-4-fluorophenyl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C15H15BrFN3O/c1-2-7-18-14-11(4-3-8-19-14)15(21)20-13-6-5-10(17)9-12(13)16/h3-6,8-9H,2,7H2,1H3,(H,18,19)(H,20,21)
InChIKeyQKNFHROKEMURRG-UHFFFAOYSA-N
XLogP4.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62165523
N-(2-bromo-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 107631593
N-(4-bromo-2-methylphenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62186791
N-(2-methyl-3-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 79043163
N-(2-bromo-4-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384647
N-(2-bromo-4-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62166813
N-(4-bromo-2,5-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 107616528
N-[(3-fluorophenyl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62166991
N-(3-methylsulfanylphenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62185086
N-(3-methoxyphenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62166611
N-(2-bromophenyl)-2-(2-phenylethylamino)pyridine-3-carboxamide
CID 23632786
2-(ethylamino)-N-(2-fluoro-4-methylphenyl)pyridine-3-carboxamide
CID 62185386

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-2-(propylamino)pyridine-3-carboxamide (CID 62166982) is N-(2-bromo-4-fluorophenyl)-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncccc1C(=O)Nc1ccc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is QKNFHROKEMURRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c1-2-7-18-14-11(4-3-8-19-14)15(21)20-13-6-5-10(17)9-12(13)16/h3-6,8-9H,2,7H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(2-bromo-4-fluorophenyl)-2-(propylamino)pyridine-3-carboxamide?
N-(2-bromo-4-fluorophenyl)-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 352.21 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62166982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).