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

C19H18N4O4 — CID 36705199

IUPAC1-cyclopropyl-N-(4-ethoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)cc1
InChIInChI=1S/C19H18N4O4/c1-2-27-14-7-3-12(4-8-14)21-17(24)11-9-15-16(20-10-11)23(13-5-6-13)19(26)22-18(15)25/h3-4,7-10,13H,2,5-6H2,1H3,(H,21,24)(H,22,25,26)
InChIKeyIGAODHLRYVHNJG-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.07
Rot. Bonds5

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

1-cyclopropyl-N-(4-ethoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 36705199) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-(4-ethoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(4-ethoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID36705199
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name1-cyclopropyl-N-(4-ethoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)cc1
InChIInChI=1S/C19H18N4O4/c1-2-27-14-7-3-12(4-8-14)21-17(24)11-9-15-16(20-10-11)23(13-5-6-13)19(26)22-18(15)25/h3-4,7-10,13H,2,5-6H2,1H3,(H,21,24)(H,22,25,26)
InChIKeyIGAODHLRYVHNJG-UHFFFAOYSA-N
XLogP2.07
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopropyl-N-(6-methoxy-3-pyridinyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36769260
1-cyclopropyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 134048146
N-(5-acetamido-2-methoxyphenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37065151
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-[[3-(methanesulfonamido)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 43065423
1-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37155718
N-[3-[benzyl(methyl)amino]propyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37314856
N-[4-(2-methoxyphenoxy)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46552519
1-cyclopropyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 60553544
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37330796
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-(4-ethoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(4-ethoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 36705199) is 1-cyclopropyl-N-(4-ethoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(4-ethoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(4-ethoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is CCOc1ccc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-N-(4-ethoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is IGAODHLRYVHNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-2-27-14-7-3-12(4-8-14)21-17(24)11-9-15-16(20-10-11)23(13-5-6-13)19(26)22-18(15)25/h3-4,7-10,13H,2,5-6H2,1H3,(H,21,24)(H,22,25,26).
What are the key properties of 1-cyclopropyl-N-(4-ethoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
1-cyclopropyl-N-(4-ethoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(4-ethoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 36705199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).