N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide

C21H17BrFN3O — CID 70978482

IUPACN-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESC/C=C(/c1ccc(Br)cc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C21H17BrFN3O/c1-3-17(14-4-7-16(22)8-5-14)15-6-9-20(25-10-15)26-21(27)18-11-24-12-19(23)13(18)2/h3-12H,1-2H3,(H,25,26,27)/b17-3-
InChIKeyADJZVZYXLRGJER-YPEHOIGNSA-N
MW426.29 g/mol
LogP5.39
Rot. Bonds4

About N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide

N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide (PubChem CID 70978482) has the molecular formula C21H17BrFN3O and a molecular weight of 426.29 g/mol. Its IUPAC name is N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
PubChem CID70978482
Molecular FormulaC21H17BrFN3O
Molecular Weight426.29 g/mol
Exact Mass425.05
IUPAC NameN-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESC/C=C(/c1ccc(Br)cc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C21H17BrFN3O/c1-3-17(14-4-7-16(22)8-5-14)15-6-9-20(25-10-15)26-21(27)18-11-24-12-19(23)13(18)2/h3-12H,1-2H3,(H,25,26,27)/b17-3-
InChIKeyADJZVZYXLRGJER-YPEHOIGNSA-N
XLogP5.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.29
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide (CID 70978482) is N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide is C/C=C(/c1ccc(Br)cc1)c1ccc(NC(=O)c2cncc(F)c2C)nc1.
What is the InChIKey of N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
The InChIKey is ADJZVZYXLRGJER-YPEHOIGNSA-N. The full InChI is InChI=1S/C21H17BrFN3O/c1-3-17(14-4-7-16(22)8-5-14)15-6-9-20(25-10-15)26-21(27)18-11-24-12-19(23)13(18)2/h3-12H,1-2H3,(H,25,26,27)/b17-3-.
What are the key properties of N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide?
N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide has a molecular weight of 426.29 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70978482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).