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

C22H22N4O2 — CID 53071613

IUPAC4-benzyl-N-(4-methoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3ccccc3)c3ncccc32)cc1
InChIInChI=1S/C22H22N4O2/c1-28-19-11-9-18(10-12-19)24-22(27)26-15-14-25(16-17-6-3-2-4-7-17)21-20(26)8-5-13-23-21/h2-13H,14-16H2,1H3,(H,24,27)
InChIKeyYRKKCSNHXBBLPO-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.15
Rot. Bonds4

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

4-benzyl-N-(4-methoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide (PubChem CID 53071613) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-benzyl-N-(4-methoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(4-methoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
PubChem CID53071613
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-benzyl-N-(4-methoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3ccccc3)c3ncccc32)cc1
InChIInChI=1S/C22H22N4O2/c1-28-19-11-9-18(10-12-19)24-22(27)26-15-14-25(16-17-6-3-2-4-7-17)21-20(26)8-5-13-23-21/h2-13H,14-16H2,1H3,(H,24,27)
InChIKeyYRKKCSNHXBBLPO-UHFFFAOYSA-N
XLogP4.15
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-N-(4-ethoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071618
4-benzyl-N-(3,5-dimethylphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071605
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
4-ethyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071695
ethyl 4-[(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate
CID 53071687
1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenoxyethanone
CID 53071971
4-ethyl-N-(2-phenylethyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071711
1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one
CID 53071951
(2S)-1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one
CID 95070077

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(4-methoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-(4-methoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide (CID 53071613) is 4-benzyl-N-(4-methoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(4-methoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(4-methoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(Cc3ccccc3)c3ncccc32)cc1.
What is the InChIKey of 4-benzyl-N-(4-methoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide?
The InChIKey is YRKKCSNHXBBLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-28-19-11-9-18(10-12-19)24-22(27)26-15-14-25(16-17-6-3-2-4-7-17)21-20(26)8-5-13-23-21/h2-13H,14-16H2,1H3,(H,24,27).
What are the key properties of 4-benzyl-N-(4-methoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide?
4-benzyl-N-(4-methoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(4-methoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide is sourced from PubChem (CID 53071613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).