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

C23H26N6O3 — CID 134048146

IUPAC1-cyclopropyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)ccc1N1CCN(C)CC1
InChIInChI=1S/C23H26N6O3/c1-14-11-16(3-6-19(14)28-9-7-27(2)8-10-28)25-21(30)15-12-18-20(24-13-15)29(17-4-5-17)23(32)26-22(18)31/h3,6,11-13,17H,4-5,7-10H2,1-2H3,(H,25,30)(H,26,31,32)
InChIKeyUORJXDFAHOYHNV-UHFFFAOYSA-N
MW434.50 g/mol
LogP1.73
Rot. Bonds4

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

1-cyclopropyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 134048146) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-cyclopropyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID134048146
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name1-cyclopropyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)ccc1N1CCN(C)CC1
InChIInChI=1S/C23H26N6O3/c1-14-11-16(3-6-19(14)28-9-7-27(2)8-10-28)25-21(30)15-12-18-20(24-13-15)29(17-4-5-17)23(32)26-22(18)31/h3,6,11-13,17H,4-5,7-10H2,1-2H3,(H,25,30)(H,26,31,32)
InChIKeyUORJXDFAHOYHNV-UHFFFAOYSA-N
XLogP1.73
TPSA103.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 134048146) is 1-cyclopropyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is Cc1cc(NC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)ccc1N1CCN(C)CC1.
What is the InChIKey of 1-cyclopropyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is UORJXDFAHOYHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-14-11-16(3-6-19(14)28-9-7-27(2)8-10-28)25-21(30)15-12-18-20(24-13-15)29(17-4-5-17)23(32)26-22(18)31/h3,6,11-13,17H,4-5,7-10H2,1-2H3,(H,25,30)(H,26,31,32).
What are the key properties of 1-cyclopropyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
1-cyclopropyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 134048146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).