1-cyclopropyl-N-(2-methoxy-5-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C19H18N4O4 — CID 36767889

IUPAC1-cyclopropyl-N-(2-methoxy-5-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C19H18N4O4/c1-10-3-6-15(27-2)14(7-10)21-17(24)11-8-13-16(20-9-11)23(12-4-5-12)19(26)22-18(13)25/h3,6-9,12H,4-5H2,1-2H3,(H,21,24)(H,22,25,26)
InChIKeyYOHWWAPFKPBSJZ-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.99
Rot. Bonds4

About 1-cyclopropyl-N-(2-methoxy-5-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

1-cyclopropyl-N-(2-methoxy-5-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 36767889) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-methoxy-5-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-methoxy-5-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID36767889
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name1-cyclopropyl-N-(2-methoxy-5-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C19H18N4O4/c1-10-3-6-15(27-2)14(7-10)21-17(24)11-8-13-16(20-9-11)23(12-4-5-12)19(26)22-18(13)25/h3,6-9,12H,4-5H2,1-2H3,(H,21,24)(H,22,25,26)
InChIKeyYOHWWAPFKPBSJZ-UHFFFAOYSA-N
XLogP1.99
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37065151
1-cyclopropyl-N-(6-methoxy-3-pyridinyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36769260
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-(4-ethoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36705199
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-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37155718
1-cyclopropyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 46552138
1-cyclopropyl-2,4-dioxo-N-[3-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55553880
N-(2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264475
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2-methoxy-5-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(2-methoxy-5-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 36767889) is 1-cyclopropyl-N-(2-methoxy-5-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(2-methoxy-5-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(2-methoxy-5-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is COc1ccc(C)cc1NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2-methoxy-5-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is YOHWWAPFKPBSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-10-3-6-15(27-2)14(7-10)21-17(24)11-8-13-16(20-9-11)23(12-4-5-12)19(26)22-18(13)25/h3,6-9,12H,4-5H2,1-2H3,(H,21,24)(H,22,25,26).
What are the key properties of 1-cyclopropyl-N-(2-methoxy-5-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
1-cyclopropyl-N-(2-methoxy-5-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2-methoxy-5-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 36767889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).