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

C15H15BrFN3O — CID 105071177

IUPACN-(3-bromo-4-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C15H15BrFN3O/c1-2-6-19-14-9-18-7-5-11(14)15(21)20-10-3-4-13(17)12(16)8-10/h3-5,7-9,19H,2,6H2,1H3,(H,20,21)
InChIKeyWBEZINZBNVILDA-UHFFFAOYSA-N
MW352.21 g/mol
LogP4.06
Rot. Bonds5

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

N-(3-bromo-4-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide (PubChem CID 105071177) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide
PubChem CID105071177
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC NameN-(3-bromo-4-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C15H15BrFN3O/c1-2-6-19-14-9-18-7-5-11(14)15(21)20-10-3-4-13(17)12(16)8-10/h3-5,7-9,19H,2,6H2,1H3,(H,20,21)
InChIKeyWBEZINZBNVILDA-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-bromo-6-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide
CID 107603315
N-(2,5-dibromophenyl)-3-(propylamino)pyridine-4-carboxamide
CID 105069309
N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide
CID 104781544
N-(4-bromo-3-chlorophenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 107616662
N-(3-bromo-4-fluorophenyl)-2-(ethylamino)benzamide
CID 104779865
N-(3,5-difluorophenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105068357
N-(3,4-difluorophenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068229
N-(2-bromo-3-chlorophenyl)-3-(propylamino)pyridine-4-carboxamide
CID 103481422
3-bromo-4-fluoro-N-propylaniline
CID 104776158
N-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide
CID 107370476
N-(5-methyl-3-pyridinyl)-4-(propylamino)pyridine-3-carboxamide
CID 107586622
N-(3-fluoro-4-methylphenyl)-3-hydrazinylpyridine-4-carboxamide
CID 105071773

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide (CID 105071177) is N-(3-bromo-4-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)Nc1ccc(F)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide?
The InChIKey is WBEZINZBNVILDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c1-2-6-19-14-9-18-7-5-11(14)15(21)20-10-3-4-13(17)12(16)8-10/h3-5,7-9,19H,2,6H2,1H3,(H,20,21).
What are the key properties of N-(3-bromo-4-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide?
N-(3-bromo-4-fluorophenyl)-3-(propylamino)pyridine-4-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-(3-bromo-4-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105071177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).