2,4-dioxo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide

C13H15N5O4S — CID 120721347

IUPAC2,4-dioxo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)NCC3=CCNCC3)cnc2[nH]1
InChIInChI=1S/C13H15N5O4S/c19-12-10-5-9(7-15-11(10)17-13(20)18-12)23(21,22)16-6-8-1-3-14-4-2-8/h1,5,7,14,16H,2-4,6H2,(H2,15,17,18,19,20)
InChIKeyKRVZRTDGXBXOOT-UHFFFAOYSA-N
MW337.36 g/mol
LogP-1.19
Rot. Bonds4

About 2,4-dioxo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide

2,4-dioxo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide (PubChem CID 120721347) has the molecular formula C13H15N5O4S and a molecular weight of 337.36 g/mol. Its IUPAC name is 2,4-dioxo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide.

Molecular Properties

Compound Name2,4-dioxo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide
PubChem CID120721347
Molecular FormulaC13H15N5O4S
Molecular Weight337.36 g/mol
Exact Mass337.08
IUPAC Name2,4-dioxo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)NCC3=CCNCC3)cnc2[nH]1
InChIInChI=1S/C13H15N5O4S/c19-12-10-5-9(7-15-11(10)17-13(20)18-12)23(21,22)16-6-8-1-3-14-4-2-8/h1,5,7,14,16H,2-4,6H2,(H2,15,17,18,19,20)
InChIKeyKRVZRTDGXBXOOT-UHFFFAOYSA-N
XLogP-1.19
TPSA136.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 120721633
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride
CID 120721488
2,4-dioxo-N-[2-(propylamino)ethyl]-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide;hydrochloride
CID 120716049
3,4-dichloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide;hydrochloride
CID 120721562
6-[[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]-2-ethylpyridine-3-carboxylic acid
CID 166224323
4-bromo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
CID 114694326
4-fluoro-3,5-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
CID 120721836
3-iodo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
CID 120721119
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 120721758
3-iodo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide;hydrochloride
CID 120721118
3-bromo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide;hydrochloride
CID 120721662
2-oxo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 120721593

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide?
The IUPAC name of 2,4-dioxo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide (CID 120721347) is 2,4-dioxo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide.
What is the SMILES notation for 2,4-dioxo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide?
The canonical SMILES for 2,4-dioxo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide is O=c1[nH]c(=O)c2cc(S(=O)(=O)NCC3=CCNCC3)cnc2[nH]1.
What is the InChIKey of 2,4-dioxo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide?
The InChIKey is KRVZRTDGXBXOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O4S/c19-12-10-5-9(7-15-11(10)17-13(20)18-12)23(21,22)16-6-8-1-3-14-4-2-8/h1,5,7,14,16H,2-4,6H2,(H2,15,17,18,19,20).
What are the key properties of 2,4-dioxo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide?
2,4-dioxo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide has a molecular weight of 337.36 g/mol, XLogP of -1.19, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-pyrido[2,3-d]pyrimidine-6-sulfonamide is sourced from PubChem (CID 120721347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).