8-(4-ethylphenyl)-N-methoxy-2-methylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

C18H18N4O3S — CID 86620192

IUPAC8-(4-ethylphenyl)-N-methoxy-2-methylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCc1ccc(-n2cc(C(=O)NOC)c(=O)c3cnc(SC)nc32)cc1
InChIInChI=1S/C18H18N4O3S/c1-4-11-5-7-12(8-6-11)22-10-14(17(24)21-25-2)15(23)13-9-19-18(26-3)20-16(13)22/h5-10H,4H2,1-3H3,(H,21,24)
InChIKeyJPHRCQNVXVPSGU-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.36
Rot. Bonds5

About 8-(4-ethylphenyl)-N-methoxy-2-methylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

8-(4-ethylphenyl)-N-methoxy-2-methylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 86620192) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 8-(4-ethylphenyl)-N-methoxy-2-methylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name8-(4-ethylphenyl)-N-methoxy-2-methylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID86620192
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name8-(4-ethylphenyl)-N-methoxy-2-methylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCc1ccc(-n2cc(C(=O)NOC)c(=O)c3cnc(SC)nc32)cc1
InChIInChI=1S/C18H18N4O3S/c1-4-11-5-7-12(8-6-11)22-10-14(17(24)21-25-2)15(23)13-9-19-18(26-3)20-16(13)22/h5-10H,4H2,1-3H3,(H,21,24)
InChIKeyJPHRCQNVXVPSGU-UHFFFAOYSA-N
XLogP2.36
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-(4-ethylphenyl)-N-methoxy-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 59724165
ethyl 2-methylsulfanyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate
CID 11002551
8-(4-ethynylphenyl)-N-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 24936602
2-[4-(2-aminoethyl)anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 86620190
8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxo-2-[4-(pyridin-4-ylmethyl)anilino]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 59724160
8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
CID 25222985
ethyl 2-(2-methoxyethylamino)-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 68583605
8-(4-ethylphenyl)-2-[4-(1-ethylpiperidin-4-yl)anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 71096353
8-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-[4-(2-hydroxyethyl)anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 59724164
2-[4-[2-(4-acetylpiperazin-1-yl)ethyl]anilino]-8-(2,3-dihydro-1H-inden-5-yl)-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 59724000
8-(4-ethylphenyl)-5-oxo-2-[4-(1-sulfamoylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 69231055
8-(2,3-dihydro-1H-inden-5-yl)-2-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]-N-methoxy-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 59723987

Frequently Asked Questions

What is the IUPAC name of 8-(4-ethylphenyl)-N-methoxy-2-methylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 8-(4-ethylphenyl)-N-methoxy-2-methylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 86620192) is 8-(4-ethylphenyl)-N-methoxy-2-methylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 8-(4-ethylphenyl)-N-methoxy-2-methylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 8-(4-ethylphenyl)-N-methoxy-2-methylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is CCc1ccc(-n2cc(C(=O)NOC)c(=O)c3cnc(SC)nc32)cc1.
What is the InChIKey of 8-(4-ethylphenyl)-N-methoxy-2-methylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JPHRCQNVXVPSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-4-11-5-7-12(8-6-11)22-10-14(17(24)21-25-2)15(23)13-9-19-18(26-3)20-16(13)22/h5-10H,4H2,1-3H3,(H,21,24).
What are the key properties of 8-(4-ethylphenyl)-N-methoxy-2-methylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?
8-(4-ethylphenyl)-N-methoxy-2-methylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethylphenyl)-N-methoxy-2-methylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 86620192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).