methyl 2-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate

C17H18N4O3 — CID 53071730

IUPACmethyl 2-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)N1CCN(C)c2ncccc21
InChIInChI=1S/C17H18N4O3/c1-20-10-11-21(14-8-5-9-18-15(14)20)17(23)19-13-7-4-3-6-12(13)16(22)24-2/h3-9H,10-11H2,1-2H3,(H,19,23)
InChIKeyNOWKXGGPVOGQQQ-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.36
Rot. Bonds2

About methyl 2-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate

methyl 2-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate (PubChem CID 53071730) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is methyl 2-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate
PubChem CID53071730
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Namemethyl 2-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)N1CCN(C)c2ncccc21
InChIInChI=1S/C17H18N4O3/c1-20-10-11-21(14-8-5-9-18-15(14)20)17(23)19-13-7-4-3-6-12(13)16(22)24-2/h3-9H,10-11H2,1-2H3,(H,19,23)
InChIKeyNOWKXGGPVOGQQQ-UHFFFAOYSA-N
XLogP2.36
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate
CID 53071632
4-benzyl-N-(2-methylphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071610
methyl 2-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
CID 18536303
N-(2-ethylphenyl)-4-prop-2-enyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071803
N-(2-fluorophenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 46382953
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate
CID 103754028
methyl 2-[[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetyl]amino]benzoate
CID 46393668
methyl 2-(phenothiazine-10-carbonylamino)benzoate
CID 1045457
methyl 2-(pyridazine-4-carbonylamino)benzoate
CID 112706538
4-benzyl-N-(4-methoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071613
methyl 2-[[4-[(3-phenylimidazo[4,5-b]pyridin-2-yl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 53206051

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate (CID 53071730) is methyl 2-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)N1CCN(C)c2ncccc21.
What is the InChIKey of methyl 2-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate?
The InChIKey is NOWKXGGPVOGQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-20-10-11-21(14-8-5-9-18-15(14)20)17(23)19-13-7-4-3-6-12(13)16(22)24-2/h3-9H,10-11H2,1-2H3,(H,19,23).
What are the key properties of methyl 2-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate?
methyl 2-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate has a molecular weight of 326.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate is sourced from PubChem (CID 53071730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).