4-benzyl-N-(3-bromophenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide

C21H19BrN4O — CID 53071619

IUPAC4-benzyl-N-(3-bromophenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
SMILESO=C(Nc1cccc(Br)c1)N1CCN(Cc2ccccc2)c2ncccc21
InChIInChI=1S/C21H19BrN4O/c22-17-8-4-9-18(14-17)24-21(27)26-13-12-25(15-16-6-2-1-3-7-16)20-19(26)10-5-11-23-20/h1-11,14H,12-13,15H2,(H,24,27)
InChIKeyNTJMYHSDQKTPJY-UHFFFAOYSA-N
MW423.31 g/mol
LogP4.90
Rot. Bonds3

About 4-benzyl-N-(3-bromophenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide

4-benzyl-N-(3-bromophenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide (PubChem CID 53071619) has the molecular formula C21H19BrN4O and a molecular weight of 423.31 g/mol. Its IUPAC name is 4-benzyl-N-(3-bromophenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(3-bromophenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
PubChem CID53071619
Molecular FormulaC21H19BrN4O
Molecular Weight423.31 g/mol
Exact Mass422.07
IUPAC Name4-benzyl-N-(3-bromophenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
SMILESO=C(Nc1cccc(Br)c1)N1CCN(Cc2ccccc2)c2ncccc21
InChIInChI=1S/C21H19BrN4O/c22-17-8-4-9-18(14-17)24-21(27)26-13-12-25(15-16-6-2-1-3-7-16)20-19(26)10-5-11-23-20/h1-11,14H,12-13,15H2,(H,24,27)
InChIKeyNTJMYHSDQKTPJY-UHFFFAOYSA-N
XLogP4.90
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-(3,5-dimethylphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071605
ethyl 3-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate
CID 53071615
4-benzyl-N-(4-methoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071613
4-benzyl-N-(4-ethoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071618
4-benzyl-N-(2-methylphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071610
methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]acetate
CID 53071660
methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate
CID 53071632
1-(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-3-methylbutan-1-one
CID 53033924
N-(4-bromo-2-fluorophenyl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071689
N-(3,4-dimethylphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071783
4-ethyl-N-(2-phenylethyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071711
4-ethyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071695

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(3-bromophenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-(3-bromophenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide (CID 53071619) is 4-benzyl-N-(3-bromophenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(3-bromophenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(3-bromophenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide is O=C(Nc1cccc(Br)c1)N1CCN(Cc2ccccc2)c2ncccc21.
What is the InChIKey of 4-benzyl-N-(3-bromophenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide?
The InChIKey is NTJMYHSDQKTPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN4O/c22-17-8-4-9-18(14-17)24-21(27)26-13-12-25(15-16-6-2-1-3-7-16)20-19(26)10-5-11-23-20/h1-11,14H,12-13,15H2,(H,24,27).
What are the key properties of 4-benzyl-N-(3-bromophenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide?
4-benzyl-N-(3-bromophenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide has a molecular weight of 423.31 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(3-bromophenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide is sourced from PubChem (CID 53071619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).