1-cyclopropyl-N-(6-methoxy-3-pyridinyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C17H15N5O4 — CID 36769260

IUPAC1-cyclopropyl-N-(6-methoxy-3-pyridinyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)cn1
InChIInChI=1S/C17H15N5O4/c1-26-13-5-2-10(8-18-13)20-15(23)9-6-12-14(19-7-9)22(11-3-4-11)17(25)21-16(12)24/h2,5-8,11H,3-4H2,1H3,(H,20,23)(H,21,24,25)
InChIKeyNTJSSBYORYQUAY-UHFFFAOYSA-N
MW353.34 g/mol
LogP1.08
Rot. Bonds4

About 1-cyclopropyl-N-(6-methoxy-3-pyridinyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

1-cyclopropyl-N-(6-methoxy-3-pyridinyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 36769260) has the molecular formula C17H15N5O4 and a molecular weight of 353.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-(6-methoxy-3-pyridinyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(6-methoxy-3-pyridinyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID36769260
Molecular FormulaC17H15N5O4
Molecular Weight353.34 g/mol
Exact Mass353.11
IUPAC Name1-cyclopropyl-N-(6-methoxy-3-pyridinyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)cn1
InChIInChI=1S/C17H15N5O4/c1-26-13-5-2-10(8-18-13)20-15(23)9-6-12-14(19-7-9)22(11-3-4-11)17(25)21-16(12)24/h2,5-8,11H,3-4H2,1H3,(H,20,23)(H,21,24,25)
InChIKeyNTJSSBYORYQUAY-UHFFFAOYSA-N
XLogP1.08
TPSA118.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-cyclopropyl-N-(6-methoxy-3-pyridinyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

1-cyclopropyl-N-(4-ethoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36705199
N-(5-acetamido-2-methoxyphenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37065151
1-cyclopropyl-N-(2-methoxy-5-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36767889
1-cyclopropyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 134048146
N-(4-amino-3,5-dichlorophenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 134046812
1-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 55550563
1-cyclopropyl-N-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36863765
1-cyclopropyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 52710894
1-cyclopropyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 46552138
1-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37155718
tert-butyl (3R,4R)-3-[(1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-4-methylpiperidine-1-carboxylate
CID 99787984
1-cyclopropyl-2,4-dioxo-N-[3-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55553880

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(6-methoxy-3-pyridinyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(6-methoxy-3-pyridinyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 36769260) is 1-cyclopropyl-N-(6-methoxy-3-pyridinyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(6-methoxy-3-pyridinyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(6-methoxy-3-pyridinyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is COc1ccc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)cn1.
What is the InChIKey of 1-cyclopropyl-N-(6-methoxy-3-pyridinyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NTJSSBYORYQUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4/c1-26-13-5-2-10(8-18-13)20-15(23)9-6-12-14(19-7-9)22(11-3-4-11)17(25)21-16(12)24/h2,5-8,11H,3-4H2,1H3,(H,20,23)(H,21,24,25).
What are the key properties of 1-cyclopropyl-N-(6-methoxy-3-pyridinyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
1-cyclopropyl-N-(6-methoxy-3-pyridinyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 353.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(6-methoxy-3-pyridinyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 36769260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).