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

C19H18N4O3 — CID 36863765

IUPAC1-cyclopropyl-N-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)cc1
InChIInChI=1S/C19H18N4O3/c1-11-2-4-12(5-3-11)9-21-17(24)13-8-15-16(20-10-13)23(14-6-7-14)19(26)22-18(15)25/h2-5,8,10,14H,6-7,9H2,1H3,(H,21,24)(H,22,25,26)
InChIKeyPKTZUESNACLYQK-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.66
Rot. Bonds4

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

1-cyclopropyl-N-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 36863765) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID36863765
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name1-cyclopropyl-N-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)cc1
InChIInChI=1S/C19H18N4O3/c1-11-2-4-12(5-3-11)9-21-17(24)13-8-15-16(20-10-13)23(14-6-7-14)19(26)22-18(15)25/h2-5,8,10,14H,6-7,9H2,1H3,(H,21,24)(H,22,25,26)
InChIKeyPKTZUESNACLYQK-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
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-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37155718
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37330796
1-cyclopropyl-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 43072647
1-cyclopropyl-N-(2-methoxy-5-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36767889
1-(1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 55964854
N-[3-[benzyl(methyl)amino]propyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37314856
1-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 55550563
1-cyclopropyl-N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36768989
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-ethoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36705199
N-[3-(4-chlorophenyl)cyclobutyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 139007770

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 36863765) is 1-cyclopropyl-N-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is Cc1ccc(CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is PKTZUESNACLYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-11-2-4-12(5-3-11)9-21-17(24)13-8-15-16(20-10-13)23(14-6-7-14)19(26)22-18(15)25/h2-5,8,10,14H,6-7,9H2,1H3,(H,21,24)(H,22,25,26).
What are the key properties of 1-cyclopropyl-N-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
1-cyclopropyl-N-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 36863765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).