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

C19H18N4O3 — CID 36805442

IUPAC1-cyclopropyl-N-(3-ethylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCc1cccc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)c1
InChIInChI=1S/C19H18N4O3/c1-2-11-4-3-5-13(8-11)21-17(24)12-9-15-16(20-10-12)23(14-6-7-14)19(26)22-18(15)25/h3-5,8-10,14H,2,6-7H2,1H3,(H,21,24)(H,22,25,26)
InChIKeyBQBUZRLOJOWQSQ-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.23
Rot. Bonds4

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

1-cyclopropyl-N-(3-ethylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 36805442) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3-ethylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(3-ethylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID36805442
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name1-cyclopropyl-N-(3-ethylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCc1cccc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)c1
InChIInChI=1S/C19H18N4O3/c1-2-11-4-3-5-13(8-11)21-17(24)12-9-15-16(20-10-12)23(14-6-7-14)19(26)22-18(15)25/h3-5,8-10,14H,2,6-7H2,1H3,(H,21,24)(H,22,25,26)
InChIKeyBQBUZRLOJOWQSQ-UHFFFAOYSA-N
XLogP2.23
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-[[3-(methanesulfonamido)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 43065423
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
1-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 55550563
1-cyclopropyl-N-[2-(3-ethynylanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 55835510
N-(4-amino-3,5-dichlorophenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 134046812
1-cyclopropyl-N-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36863765
1-cyclopropyl-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 43072647
N-(5-acetamido-2-methoxyphenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37065151
N-[3-[benzyl(methyl)amino]propyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37314856
1-cyclopropyl-N-(2-methoxy-5-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36767889
1-cyclopropyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 52710894

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3-ethylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(3-ethylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 36805442) is 1-cyclopropyl-N-(3-ethylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(3-ethylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(3-ethylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is CCc1cccc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-N-(3-ethylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BQBUZRLOJOWQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-2-11-4-3-5-13(8-11)21-17(24)12-9-15-16(20-10-12)23(14-6-7-14)19(26)22-18(15)25/h3-5,8-10,14H,2,6-7H2,1H3,(H,21,24)(H,22,25,26).
What are the key properties of 1-cyclopropyl-N-(3-ethylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
1-cyclopropyl-N-(3-ethylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3-ethylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 36805442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).