N-isoquinolin-5-ylsulfonyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide

C20H17N5O5S — CID 56556935

IUPACN-isoquinolin-5-ylsulfonyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)NS(=O)(=O)c3cccc4cnccc34)cnc21
InChIInChI=1S/C20H17N5O5S/c1-2-8-25-17-15(19(27)23-20(25)28)9-13(11-22-17)18(26)24-31(29,30)16-5-3-4-12-10-21-7-6-14(12)16/h3-7,9-11H,2,8H2,1H3,(H,24,26)(H,23,27,28)
InChIKeyZTKGXPSHBDXJAH-UHFFFAOYSA-N
MW439.45 g/mol
LogP1.16
Rot. Bonds5

About N-isoquinolin-5-ylsulfonyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide

N-isoquinolin-5-ylsulfonyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 56556935) has the molecular formula C20H17N5O5S and a molecular weight of 439.45 g/mol. Its IUPAC name is N-isoquinolin-5-ylsulfonyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-isoquinolin-5-ylsulfonyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID56556935
Molecular FormulaC20H17N5O5S
Molecular Weight439.45 g/mol
Exact Mass439.10
IUPAC NameN-isoquinolin-5-ylsulfonyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)NS(=O)(=O)c3cccc4cnccc34)cnc21
InChIInChI=1S/C20H17N5O5S/c1-2-8-25-17-15(19(27)23-20(25)28)9-13(11-22-17)18(26)24-31(29,30)16-5-3-4-12-10-21-7-6-14(12)16/h3-7,9-11H,2,8H2,1H3,(H,24,26)(H,23,27,28)
InChIKeyZTKGXPSHBDXJAH-UHFFFAOYSA-N
XLogP1.16
TPSA143.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-isoquinolin-5-ylsulfonyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46554711
2,4-dioxo-N-(2-piperidin-1-yl-3-pyridinyl)-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 55980838
N-(4-acetamido-3-chlorophenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46553052
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 55992153
2,4-dioxo-1-propyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 134047991
N-(1-cyclopropylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46553241
2,4-dioxo-1-propyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 37137967
2,4-dioxo-1-propyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 46553541
ethyl (E)-3-[4-[(2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carbonyl)amino]phenyl]prop-2-enoate
CID 46552567
N-[4-(2-methoxyphenoxy)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46552519
2,4-dioxo-1-propyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 51932414
2,4-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 55555466

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-ylsulfonyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-isoquinolin-5-ylsulfonyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (CID 56556935) is N-isoquinolin-5-ylsulfonyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-isoquinolin-5-ylsulfonyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-isoquinolin-5-ylsulfonyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NS(=O)(=O)c3cccc4cnccc34)cnc21.
What is the InChIKey of N-isoquinolin-5-ylsulfonyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZTKGXPSHBDXJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O5S/c1-2-8-25-17-15(19(27)23-20(25)28)9-13(11-22-17)18(26)24-31(29,30)16-5-3-4-12-10-21-7-6-14(12)16/h3-7,9-11H,2,8H2,1H3,(H,24,26)(H,23,27,28).
What are the key properties of N-isoquinolin-5-ylsulfonyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
N-isoquinolin-5-ylsulfonyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 439.45 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-5-ylsulfonyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 56556935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).