N-(4-bromo-2-fluorophenyl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide

C16H16BrFN4O — CID 53071689

IUPACN-(4-bromo-2-fluorophenyl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2ccc(Br)cc2F)c2cccnc21
InChIInChI=1S/C16H16BrFN4O/c1-2-21-8-9-22(14-4-3-7-19-15(14)21)16(23)20-13-6-5-11(17)10-12(13)18/h3-7,10H,2,8-9H2,1H3,(H,20,23)
InChIKeyAOHNGXMKZAJJOQ-UHFFFAOYSA-N
MW379.23 g/mol
LogP3.86
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide

N-(4-bromo-2-fluorophenyl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide (PubChem CID 53071689) has the molecular formula C16H16BrFN4O and a molecular weight of 379.23 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
PubChem CID53071689
Molecular FormulaC16H16BrFN4O
Molecular Weight379.23 g/mol
Exact Mass378.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2ccc(Br)cc2F)c2cccnc21
InChIInChI=1S/C16H16BrFN4O/c1-2-21-8-9-22(14-4-3-7-19-15(14)21)16(23)20-13-6-5-11(17)10-12(13)18/h3-7,10H,2,8-9H2,1H3,(H,20,23)
InChIKeyAOHNGXMKZAJJOQ-UHFFFAOYSA-N
XLogP3.86
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071678
ethyl 4-[(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate
CID 53071687
4-benzyl-N-(3-bromophenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071619
N-(2-ethylphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071803
4-benzyl-N-(2-methylphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071610
1-(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-2-phenoxyethanone
CID 53071925
4-benzyl-N-(3,5-dimethylphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071605
methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate
CID 53071632
N-(4-bromo-2-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
CID 20907195
N-(4-bromo-2-fluorophenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2351076
4-benzyl-N-(4-ethoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071618
[1-(4-bromo-2-fluoroanilino)-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate
CID 23860478

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide (CID 53071689) is N-(4-bromo-2-fluorophenyl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide is CCN1CCN(C(=O)Nc2ccc(Br)cc2F)c2cccnc21.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide?
The InChIKey is AOHNGXMKZAJJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN4O/c1-2-21-8-9-22(14-4-3-7-19-15(14)21)16(23)20-13-6-5-11(17)10-12(13)18/h3-7,10H,2,8-9H2,1H3,(H,20,23).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide?
N-(4-bromo-2-fluorophenyl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide has a molecular weight of 379.23 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide is sourced from PubChem (CID 53071689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).