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

C18H18N4O5 — CID 137290037

IUPACethyl 2-amino-5-(3,4-dimethoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)c2c(=O)[nH]c(N)nc2n1
InChIInChI=1S/C18H18N4O5/c1-4-27-17(24)11-8-10(9-5-6-12(25-2)13(7-9)26-3)14-15(20-11)21-18(19)22-16(14)23/h5-8H,4H2,1-3H3,(H3,19,20,21,22,23)
InChIKeyOBLGUBRSIDCFGA-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.76
Rot. Bonds5

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

ethyl 2-amino-5-(3,4-dimethoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate (PubChem CID 137290037) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is ethyl 2-amino-5-(3,4-dimethoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-(3,4-dimethoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate
PubChem CID137290037
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Nameethyl 2-amino-5-(3,4-dimethoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)c2c(=O)[nH]c(N)nc2n1
InChIInChI=1S/C18H18N4O5/c1-4-27-17(24)11-8-10(9-5-6-12(25-2)13(7-9)26-3)14-15(20-11)21-18(19)22-16(14)23/h5-8H,4H2,1-3H3,(H3,19,20,21,22,23)
InChIKeyOBLGUBRSIDCFGA-UHFFFAOYSA-N
XLogP1.76
TPSA129.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-amino-5-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate
CID 137290035
6-amino-2-(3,4-dimethoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,8,11,13,15-heptaene-4,17-dione
CID 135648642
ethyl 1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 50923214
ethyl 5-amino-3-(3,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylate
CID 25219814
ethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylbenzoate
CID 14570140
ethyl 5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379413
1,4,8,11-tetrakis(3,4-dimethoxyphenyl)quinoxalino[2,3-b]phenazine-6,13-dione
CID 170781812
ethyl 4-(3,4-dimethoxyphenyl)-2-[(4,6-dimethylpyridine-2-carbonyl)amino]thiophene-3-carboxylate
CID 19224458
ethyl 2-acetyl-3-amino-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate
CID 118716257
ethyl 6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 42878543
ethyl 1-(3,4-dimethoxybenzoyl)-6,7-dimethoxyisoquinoline-3-carboxylate
CID 11761685
5-(3,4-dimethoxyphenyl)-2-(1H-pyrazol-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 167847889

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(3,4-dimethoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate?
The IUPAC name of ethyl 2-amino-5-(3,4-dimethoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate (CID 137290037) is ethyl 2-amino-5-(3,4-dimethoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-(3,4-dimethoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate?
The canonical SMILES for ethyl 2-amino-5-(3,4-dimethoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate is CCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)c2c(=O)[nH]c(N)nc2n1.
What is the InChIKey of ethyl 2-amino-5-(3,4-dimethoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate?
The InChIKey is OBLGUBRSIDCFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c1-4-27-17(24)11-8-10(9-5-6-12(25-2)13(7-9)26-3)14-15(20-11)21-18(19)22-16(14)23/h5-8H,4H2,1-3H3,(H3,19,20,21,22,23).
What are the key properties of ethyl 2-amino-5-(3,4-dimethoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate?
ethyl 2-amino-5-(3,4-dimethoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate has a molecular weight of 370.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(3,4-dimethoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 137290037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).