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

C20H16BrFN4O — CID 70978582

IUPACN-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESC/C=C(/c1ccc(Br)cc1)c1cnc(NC(=O)c2cncc(F)c2C)cn1
InChIInChI=1S/C20H16BrFN4O/c1-3-15(13-4-6-14(21)7-5-13)18-10-25-19(11-24-18)26-20(27)16-8-23-9-17(22)12(16)2/h3-11H,1-2H3,(H,25,26,27)/b15-3-
InChIKeyLPNGUNKXNPYWTD-CQPUUCJISA-N
MW427.28 g/mol
LogP4.79
Rot. Bonds4

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

N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide (PubChem CID 70978582) has the molecular formula C20H16BrFN4O and a molecular weight of 427.28 g/mol. Its IUPAC name is N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
PubChem CID70978582
Molecular FormulaC20H16BrFN4O
Molecular Weight427.28 g/mol
Exact Mass426.05
IUPAC NameN-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
SMILESC/C=C(/c1ccc(Br)cc1)c1cnc(NC(=O)c2cncc(F)c2C)cn1
InChIInChI=1S/C20H16BrFN4O/c1-3-15(13-4-6-14(21)7-5-13)18-10-25-19(11-24-18)26-20(27)16-8-23-9-17(22)12(16)2/h3-11H,1-2H3,(H,25,26,27)/b15-3-
InChIKeyLPNGUNKXNPYWTD-CQPUUCJISA-N
XLogP4.79
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.28
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[5-[(Z)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
CID 70979506
N-[5-[1-(6-ethoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 70979502
5-fluoro-4-methyl-N-[5-[(E)-1-(6-pyrrolidin-1-yl-3-pyridinyl)prop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide
CID 70979466
5-fluoro-N-[5-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
CID 89184688
5-fluoro-4-methyl-N-[5-[2-methyl-5-(pyrimidin-2-ylamino)phenyl]pyrazin-2-yl]pyridine-3-carboxamide
CID 90224957
N-[5-[2-ethyl-5-(2-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 71010081
N-[5-[(Z)-N-[(3,5-difluoro-2-pyridinyl)oxy]-C-ethylcarbonimidoyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 89156183
5-fluoro-4-methyl-N-[5-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide
CID 70978639
N-(5-bromo-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770718
N-(5-acetyl-2-pyridinyl)-5-bromopyridine-2-carboxamide
CID 75514307
N-[5-[(E)-C-ethyl-N-[(2E,4Z)-2-methyl-5-(methylideneamino)penta-2,4-dienoxy]carbonimidoyl]-2-pyridinyl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 130319195
N-(4-bromophenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374238

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide (CID 70978582) is N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide is C/C=C(/c1ccc(Br)cc1)c1cnc(NC(=O)c2cncc(F)c2C)cn1.
What is the InChIKey of N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide?
The InChIKey is LPNGUNKXNPYWTD-CQPUUCJISA-N. The full InChI is InChI=1S/C20H16BrFN4O/c1-3-15(13-4-6-14(21)7-5-13)18-10-25-19(11-24-18)26-20(27)16-8-23-9-17(22)12(16)2/h3-11H,1-2H3,(H,25,26,27)/b15-3-.
What are the key properties of N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide?
N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide has a molecular weight of 427.28 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-1-(4-bromophenyl)prop-1-enyl]pyrazin-2-yl]-5-fluoro-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70978582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).