ethyl 2-amino-5-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate

C17H16N4O4 — CID 137290035

IUPACethyl 2-amino-5-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(OC)c2)c2c(=O)[nH]c(N)nc2n1
InChIInChI=1S/C17H16N4O4/c1-3-25-16(23)12-8-11(9-5-4-6-10(7-9)24-2)13-14(19-12)20-17(18)21-15(13)22/h4-8H,3H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyXOVGWUCWERYPQG-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.75
Rot. Bonds4

About ethyl 2-amino-5-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate

ethyl 2-amino-5-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate (PubChem CID 137290035) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is ethyl 2-amino-5-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate
PubChem CID137290035
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Nameethyl 2-amino-5-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(OC)c2)c2c(=O)[nH]c(N)nc2n1
InChIInChI=1S/C17H16N4O4/c1-3-25-16(23)12-8-11(9-5-4-6-10(7-9)24-2)13-14(19-12)20-17(18)21-15(13)22/h4-8H,3H2,1-2H3,(H3,18,19,20,21,22)
InChIKeyXOVGWUCWERYPQG-UHFFFAOYSA-N
XLogP1.75
TPSA120.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-amino-5-(3,4-dimethoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate
CID 137290037
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ethyl 2-(3-methoxyphenyl)pyrimidine-4-carboxylate
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ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
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CID 23282732
2-amino-4-(3-methoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 82475428
ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate
CID 116883542
diethyl 4-(3-methoxyphenyl)sulfanylpyridine-2,6-dicarboxylate
CID 2746946
ethyl 2,4-dihydroxy-6-(3-methoxyphenyl)benzoate
CID 10779697
ethyl 6-methoxy-4-naphthalen-2-ylquinoline-2-carboxylate
CID 132534382
ethyl 5-(3-methoxyphenyl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 55182741

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate?
The IUPAC name of ethyl 2-amino-5-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate (CID 137290035) is ethyl 2-amino-5-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate?
The canonical SMILES for ethyl 2-amino-5-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate is CCOC(=O)c1cc(-c2cccc(OC)c2)c2c(=O)[nH]c(N)nc2n1.
What is the InChIKey of ethyl 2-amino-5-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate?
The InChIKey is XOVGWUCWERYPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-3-25-16(23)12-8-11(9-5-4-6-10(7-9)24-2)13-14(19-12)20-17(18)21-15(13)22/h4-8H,3H2,1-2H3,(H3,18,19,20,21,22).
What are the key properties of ethyl 2-amino-5-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate?
ethyl 2-amino-5-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate has a molecular weight of 340.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 137290035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).