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

C19H19N5O5S — CID 43065423

IUPAC1-cyclopropyl-N-[[3-(methanesulfonamido)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCS(=O)(=O)Nc1cccc(CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)c1
InChIInChI=1S/C19H19N5O5S/c1-30(28,29)23-13-4-2-3-11(7-13)9-21-17(25)12-8-15-16(20-10-12)24(14-5-6-14)19(27)22-18(15)26/h2-4,7-8,10,14,23H,5-6,9H2,1H3,(H,21,25)(H,22,26,27)
InChIKeyZRDIPNBMRULOPU-UHFFFAOYSA-N
MW429.46 g/mol
LogP0.72
Rot. Bonds6

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

1-cyclopropyl-N-[[3-(methanesulfonamido)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 43065423) has the molecular formula C19H19N5O5S and a molecular weight of 429.46 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[3-(methanesulfonamido)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[[3-(methanesulfonamido)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID43065423
Molecular FormulaC19H19N5O5S
Molecular Weight429.46 g/mol
Exact Mass429.11
IUPAC Name1-cyclopropyl-N-[[3-(methanesulfonamido)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCS(=O)(=O)Nc1cccc(CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)c1
InChIInChI=1S/C19H19N5O5S/c1-30(28,29)23-13-4-2-3-11(7-13)9-21-17(25)12-8-15-16(20-10-12)24(14-5-6-14)19(27)22-18(15)26/h2-4,7-8,10,14,23H,5-6,9H2,1H3,(H,21,25)(H,22,26,27)
InChIKeyZRDIPNBMRULOPU-UHFFFAOYSA-N
XLogP0.72
TPSA143.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-cyclopropyl-N-[[3-(methanesulfonamido)phenyl]methyl]-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

Related Compounds

1-cyclopropyl-N-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36863765
1-cyclopropyl-N-(3-ethylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36805442
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37330796
N-[3-[benzyl(methyl)amino]propyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37314856
1-cyclopropyl-N-[2-(3-ethynylanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 55835510
1-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37155718
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-N-(4-ethoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36705199
1-cyclopropyl-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 43072647
1-cyclopropyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 60553544
N-[(4-benzylmorpholin-2-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 43064063

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[3-(methanesulfonamido)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[[3-(methanesulfonamido)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 43065423) is 1-cyclopropyl-N-[[3-(methanesulfonamido)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[[3-(methanesulfonamido)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[[3-(methanesulfonamido)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is CS(=O)(=O)Nc1cccc(CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-N-[[3-(methanesulfonamido)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZRDIPNBMRULOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O5S/c1-30(28,29)23-13-4-2-3-11(7-13)9-21-17(25)12-8-15-16(20-10-12)24(14-5-6-14)19(27)22-18(15)26/h2-4,7-8,10,14,23H,5-6,9H2,1H3,(H,21,25)(H,22,26,27).
What are the key properties of 1-cyclopropyl-N-[[3-(methanesulfonamido)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
1-cyclopropyl-N-[[3-(methanesulfonamido)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 429.46 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[3-(methanesulfonamido)phenyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 43065423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).