2,4-dioxo-N-[2-(propylamino)ethyl]-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride

C12H18ClN5O4S — CID 120716049

IUPAC2,4-dioxo-N-[2-(propylamino)ethyl]-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1.Cl
InChIInChI=1S/C12H17N5O4S.ClH/c1-2-3-13-4-5-15-22(20,21)8-6-9-10(14-7-8)16-12(19)17-11(9)18;/h6-7,13,15H,2-5H2,1H3,(H2,14,16,17,18,19);1H
InChIKeyWLKWGRQPQZMYKC-UHFFFAOYSA-N
MW363.83 g/mol
LogP-0.69
Rot. Bonds7

About 2,4-dioxo-N-[2-(propylamino)ethyl]-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride

2,4-dioxo-N-[2-(propylamino)ethyl]-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride (PubChem CID 120716049) has the molecular formula C12H18ClN5O4S and a molecular weight of 363.83 g/mol. Its IUPAC name is 2,4-dioxo-N-[2-(propylamino)ethyl]-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2,4-dioxo-N-[2-(propylamino)ethyl]-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride
PubChem CID120716049
Molecular FormulaC12H18ClN5O4S
Molecular Weight363.83 g/mol
Exact Mass363.08
IUPAC Name2,4-dioxo-N-[2-(propylamino)ethyl]-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1.Cl
InChIInChI=1S/C12H17N5O4S.ClH/c1-2-3-13-4-5-15-22(20,21)8-6-9-10(14-7-8)16-12(19)17-11(9)18;/h6-7,13,15H,2-5H2,1H3,(H2,14,16,17,18,19);1H
InChIKeyWLKWGRQPQZMYKC-UHFFFAOYSA-N
XLogP-0.69
TPSA136.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,4-dioxo-N-[2-(propylamino)ethyl]-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride 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 2,4-dioxo-N-[2-(propylamino)ethyl]-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride?
The IUPAC name of 2,4-dioxo-N-[2-(propylamino)ethyl]-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride (CID 120716049) is 2,4-dioxo-N-[2-(propylamino)ethyl]-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride.
What is the SMILES notation for 2,4-dioxo-N-[2-(propylamino)ethyl]-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride?
The canonical SMILES for 2,4-dioxo-N-[2-(propylamino)ethyl]-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride is CCCNCCNS(=O)(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1.Cl.
What is the InChIKey of 2,4-dioxo-N-[2-(propylamino)ethyl]-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride?
The InChIKey is WLKWGRQPQZMYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O4S.ClH/c1-2-3-13-4-5-15-22(20,21)8-6-9-10(14-7-8)16-12(19)17-11(9)18;/h6-7,13,15H,2-5H2,1H3,(H2,14,16,17,18,19);1H.
What are the key properties of 2,4-dioxo-N-[2-(propylamino)ethyl]-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride?
2,4-dioxo-N-[2-(propylamino)ethyl]-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride has a molecular weight of 363.83 g/mol, XLogP of -0.69, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-[2-(propylamino)ethyl]-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride is sourced from PubChem (CID 120716049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).