prop-2-enyl 7-methyl-2,4-dioxo-5-pyridin-3-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

C17H16N4O4 — CID 3464116

IUPACprop-2-enyl 7-methyl-2,4-dioxo-5-pyridin-3-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESC=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2C1c1cccnc1
InChIInChI=1S/C17H16N4O4/c1-3-7-25-16(23)11-9(2)19-14-13(15(22)21-17(24)20-14)12(11)10-5-4-6-18-8-10/h3-6,8,12H,1,7H2,2H3,(H3,19,20,21,22,24)
InChIKeyZCPZBZKYTKHQSC-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.02
Rot. Bonds4

About prop-2-enyl 7-methyl-2,4-dioxo-5-pyridin-3-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

prop-2-enyl 7-methyl-2,4-dioxo-5-pyridin-3-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 3464116) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is prop-2-enyl 7-methyl-2,4-dioxo-5-pyridin-3-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 7-methyl-2,4-dioxo-5-pyridin-3-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID3464116
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Nameprop-2-enyl 7-methyl-2,4-dioxo-5-pyridin-3-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESC=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2C1c1cccnc1
InChIInChI=1S/C17H16N4O4/c1-3-7-25-16(23)11-9(2)19-14-13(15(22)21-17(24)20-14)12(11)10-5-4-6-18-8-10/h3-6,8,12H,1,7H2,2H3,(H3,19,20,21,22,24)
InChIKeyZCPZBZKYTKHQSC-UHFFFAOYSA-N
XLogP1.02
TPSA116.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl 7-methyl-2,4-dioxo-5-pyridin-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 56685964
prop-2-enyl (5S)-5-(4-fluorophenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 7125694
prop-2-enyl (5S)-5-(4-methoxyphenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 7168128
prop-2-enyl 7-methyl-5-(4-nitrophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 23771128
prop-2-enyl (5S)-5-[4-(diethylamino)phenyl]-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 40605641
prop-2-enyl (5R)-7-methyl-2,4-dioxo-5-(3,4,5-trimethoxyphenyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 27601025
prop-2-enyl (5S)-5-(2,5-dimethoxyphenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 40579899
propan-2-yl (5S)-2-ethylsulfanyl-7-methyl-4-oxo-5-pyridin-3-yl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135708374
methyl (5R)-7-methyl-4-oxo-2-propylsulfanyl-5-pyridin-3-yl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135811649
propan-2-yl 7-methyl-2-(2-methylpropylsulfanyl)-4-oxo-5-pyridin-3-yl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135657957
3-O-methyl 5-O-prop-2-enyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 10520258
methyl 5-(3-bromophenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 14937706

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 7-methyl-2,4-dioxo-5-pyridin-3-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of prop-2-enyl 7-methyl-2,4-dioxo-5-pyridin-3-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate (CID 3464116) is prop-2-enyl 7-methyl-2,4-dioxo-5-pyridin-3-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for prop-2-enyl 7-methyl-2,4-dioxo-5-pyridin-3-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for prop-2-enyl 7-methyl-2,4-dioxo-5-pyridin-3-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate is C=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2C1c1cccnc1.
What is the InChIKey of prop-2-enyl 7-methyl-2,4-dioxo-5-pyridin-3-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is ZCPZBZKYTKHQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-3-7-25-16(23)11-9(2)19-14-13(15(22)21-17(24)20-14)12(11)10-5-4-6-18-8-10/h3-6,8,12H,1,7H2,2H3,(H3,19,20,21,22,24).
What are the key properties of prop-2-enyl 7-methyl-2,4-dioxo-5-pyridin-3-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate?
prop-2-enyl 7-methyl-2,4-dioxo-5-pyridin-3-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 340.34 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 7-methyl-2,4-dioxo-5-pyridin-3-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 3464116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).