methyl 4-amino-5-(3-hydroxyphenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate

C16H16N4O4 — CID 23851017

IUPACmethyl 4-amino-5-(3-hydroxyphenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)Nc2nc(=O)[nH]c(N)c2C1c1cccc(O)c1
InChIInChI=1S/C16H16N4O4/c1-7-10(15(22)24-2)11(8-4-3-5-9(21)6-8)12-13(17)19-16(23)20-14(12)18-7/h3-6,11,21H,1-2H3,(H4,17,18,19,20,23)
InChIKeyHTVSDQDQZQQIJW-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.06
Rot. Bonds2

About methyl 4-amino-5-(3-hydroxyphenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate

methyl 4-amino-5-(3-hydroxyphenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 23851017) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is methyl 4-amino-5-(3-hydroxyphenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-5-(3-hydroxyphenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID23851017
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Namemethyl 4-amino-5-(3-hydroxyphenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)Nc2nc(=O)[nH]c(N)c2C1c1cccc(O)c1
InChIInChI=1S/C16H16N4O4/c1-7-10(15(22)24-2)11(8-4-3-5-9(21)6-8)12-13(17)19-16(23)20-14(12)18-7/h3-6,11,21H,1-2H3,(H4,17,18,19,20,23)
InChIKeyHTVSDQDQZQQIJW-UHFFFAOYSA-N
XLogP1.06
TPSA130.33 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze methyl 4-amino-5-(3-hydroxyphenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

methyl 4-amino-5-(3-chlorophenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 23800259
methyl 4-amino-7-methyl-5-(3-phenylmethoxyphenyl)-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 23911991
ethyl 4-amino-5-(4-hydroxy-3-nitrophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 23739571
methyl 4-amino-5-(3,4-dimethoxyphenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 23848608
methyl 4-amino-5-(4-methoxyphenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 23795952
methyl 4-amino-5-(2,6-dichlorophenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 23794136
methyl (5R)-7-methyl-5-(3-methylphenyl)-4-oxo-2-propylsulfanyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 136761998
methyl 5-amino-7-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-1,8-naphthyridine-3-carboxylate
CID 71815092
dimethyl 4-(3-aminophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 11645365
methyl 2-ethylsulfanyl-7-methyl-4-oxo-5-(3-phenoxyphenyl)-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135551297
methyl 5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2-methylsulfanyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135447868
[3-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]boronic acid
CID 56839786

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-(3-hydroxyphenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 4-amino-5-(3-hydroxyphenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate (CID 23851017) is methyl 4-amino-5-(3-hydroxyphenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 4-amino-5-(3-hydroxyphenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 4-amino-5-(3-hydroxyphenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate is COC(=O)C1=C(C)Nc2nc(=O)[nH]c(N)c2C1c1cccc(O)c1.
What is the InChIKey of methyl 4-amino-5-(3-hydroxyphenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is HTVSDQDQZQQIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-7-10(15(22)24-2)11(8-4-3-5-9(21)6-8)12-13(17)19-16(23)20-14(12)18-7/h3-6,11,21H,1-2H3,(H4,17,18,19,20,23).
What are the key properties of methyl 4-amino-5-(3-hydroxyphenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
methyl 4-amino-5-(3-hydroxyphenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 328.33 g/mol, XLogP of 1.06, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-(3-hydroxyphenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 23851017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).