7-amino-N-(benzenesulfonyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C17H17N5O5S — CID 23476488

IUPAC7-amino-N-(benzenesulfonyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NS(=O)(=O)c2ccccc2)c(N)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H17N5O5S/c1-9-11(15(23)20-28(26,27)10-7-5-4-6-8-10)13(18)19-14-12(9)16(24)22(3)17(25)21(14)2/h4-8H,1-3H3,(H2,18,19)(H,20,23)
InChIKeyFOOUIUNSFAAINR-UHFFFAOYSA-N
MW403.42 g/mol
LogP-0.36
Rot. Bonds3

About 7-amino-N-(benzenesulfonyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

7-amino-N-(benzenesulfonyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 23476488) has the molecular formula C17H17N5O5S and a molecular weight of 403.42 g/mol. Its IUPAC name is 7-amino-N-(benzenesulfonyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-(benzenesulfonyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID23476488
Molecular FormulaC17H17N5O5S
Molecular Weight403.42 g/mol
Exact Mass403.10
IUPAC Name7-amino-N-(benzenesulfonyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NS(=O)(=O)c2ccccc2)c(N)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H17N5O5S/c1-9-11(15(23)20-28(26,27)10-7-5-4-6-8-10)13(18)19-14-12(9)16(24)22(3)17(25)21(14)2/h4-8H,1-3H3,(H2,18,19)(H,20,23)
InChIKeyFOOUIUNSFAAINR-UHFFFAOYSA-N
XLogP-0.36
TPSA146.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-amino-N-(benzenesulfonyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(benzenesulfonyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-amino-N-(benzenesulfonyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 23476488) is 7-amino-N-(benzenesulfonyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-amino-N-(benzenesulfonyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-amino-N-(benzenesulfonyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NS(=O)(=O)c2ccccc2)c(N)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 7-amino-N-(benzenesulfonyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is FOOUIUNSFAAINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O5S/c1-9-11(15(23)20-28(26,27)10-7-5-4-6-8-10)13(18)19-14-12(9)16(24)22(3)17(25)21(14)2/h4-8H,1-3H3,(H2,18,19)(H,20,23).
What are the key properties of 7-amino-N-(benzenesulfonyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
7-amino-N-(benzenesulfonyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 403.42 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(benzenesulfonyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 23476488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).