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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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).