4-[3-(4-bromo-2-fluorophenyl)propylamino]pyridine-3-carboxamide

C15H15BrFN3O — CID 133471398

IUPAC4-[3-(4-bromo-2-fluorophenyl)propylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1NCCCc1ccc(Br)cc1F
InChIInChI=1S/C15H15BrFN3O/c16-11-4-3-10(13(17)8-11)2-1-6-20-14-5-7-19-9-12(14)15(18)21/h3-5,7-9H,1-2,6H2,(H2,18,21)(H,19,20)
InChIKeyGMKYFGPNRUKIGY-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.13
Rot. Bonds6

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

4-[3-(4-bromo-2-fluorophenyl)propylamino]pyridine-3-carboxamide (PubChem CID 133471398) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is 4-[3-(4-bromo-2-fluorophenyl)propylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(4-bromo-2-fluorophenyl)propylamino]pyridine-3-carboxamide
PubChem CID133471398
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC Name4-[3-(4-bromo-2-fluorophenyl)propylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1NCCCc1ccc(Br)cc1F
InChIInChI=1S/C15H15BrFN3O/c16-11-4-3-10(13(17)8-11)2-1-6-20-14-5-7-19-9-12(14)15(18)21/h3-5,7-9H,1-2,6H2,(H2,18,21)(H,19,20)
InChIKeyGMKYFGPNRUKIGY-UHFFFAOYSA-N
XLogP3.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.13
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

2-(3-aminopropylamino)-5-bromobenzamide
CID 114893923
4-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-3-carboxamide
CID 133443201
4-[3-(2,4-dichlorophenoxy)propylamino]pyridine-3-carboxamide
CID 133469039
3-amino-N-[3-(4-bromo-2-fluorophenyl)propyl]propanamide;hydrochloride
CID 119327413
4-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 81244539
4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide
CID 133455073
4-[[4-fluoro-3-(methoxymethyl)phenyl]methylamino]pyridine-3-carboxamide
CID 133470671
N-(3-amino-4-pyridinyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527254
N-(4-bromo-2,6-difluorophenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81235699
4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]pyridine-3-carboxamide
CID 133469659
4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide
CID 133469822
4-[3-(oxan-4-yloxy)propylamino]pyridine-3-carboxamide
CID 133454965

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromo-2-fluorophenyl)propylamino]pyridine-3-carboxamide?
The IUPAC name of 4-[3-(4-bromo-2-fluorophenyl)propylamino]pyridine-3-carboxamide (CID 133471398) is 4-[3-(4-bromo-2-fluorophenyl)propylamino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[3-(4-bromo-2-fluorophenyl)propylamino]pyridine-3-carboxamide?
The canonical SMILES for 4-[3-(4-bromo-2-fluorophenyl)propylamino]pyridine-3-carboxamide is NC(=O)c1cnccc1NCCCc1ccc(Br)cc1F.
What is the InChIKey of 4-[3-(4-bromo-2-fluorophenyl)propylamino]pyridine-3-carboxamide?
The InChIKey is GMKYFGPNRUKIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c16-11-4-3-10(13(17)8-11)2-1-6-20-14-5-7-19-9-12(14)15(18)21/h3-5,7-9H,1-2,6H2,(H2,18,21)(H,19,20).
What are the key properties of 4-[3-(4-bromo-2-fluorophenyl)propylamino]pyridine-3-carboxamide?
4-[3-(4-bromo-2-fluorophenyl)propylamino]pyridine-3-carboxamide has a molecular weight of 352.21 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromo-2-fluorophenyl)propylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133471398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).