N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide

C16H14N6O4S — CID 55905845

IUPACN-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESN#Cc1cccnc1NCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C16H14N6O4S/c17-9-10-2-1-5-18-14(10)19-6-7-20-27(25,26)11-3-4-13-12(8-11)15(23)22-16(24)21-13/h1-5,8,20H,6-7H2,(H,18,19)(H2,21,22,23,24)
InChIKeyBWAAYKZRLLRGIM-UHFFFAOYSA-N
MW386.39 g/mol
LogP-0.13
Rot. Bonds6

About N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide

N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide (PubChem CID 55905845) has the molecular formula C16H14N6O4S and a molecular weight of 386.39 g/mol. Its IUPAC name is N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
PubChem CID55905845
Molecular FormulaC16H14N6O4S
Molecular Weight386.39 g/mol
Exact Mass386.08
IUPAC NameN-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESN#Cc1cccnc1NCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C16H14N6O4S/c17-9-10-2-1-5-18-14(10)19-6-7-20-27(25,26)11-3-4-13-12(8-11)15(23)22-16(24)21-13/h1-5,8,20H,6-7H2,(H,18,19)(H2,21,22,23,24)
InChIKeyBWAAYKZRLLRGIM-UHFFFAOYSA-N
XLogP-0.13
TPSA160.60 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-dimethylbenzenesulfonamide
CID 55729232
2,3-dichloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 51116086
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 55728944
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 55598485
2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 102675423
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 78858136
N-[3-(N-methylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 52565588
2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-5-(methylsulfamoyl)benzamide
CID 55729345
N-[3-(N-ethylanilino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 52565688
N-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
CID 120825205
2-[(3-cyano-2-pyridinyl)amino]ethyl 7-chloro-2-oxo-1,3-dihydrobenzimidazole-5-carboxylate
CID 167834455
2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-quinazoline-6-sulfonamide
CID 55905713

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The IUPAC name of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide (CID 55905845) is N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The canonical SMILES for N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide is N#Cc1cccnc1NCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The InChIKey is BWAAYKZRLLRGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O4S/c17-9-10-2-1-5-18-14(10)19-6-7-20-27(25,26)11-3-4-13-12(8-11)15(23)22-16(24)21-13/h1-5,8,20H,6-7H2,(H,18,19)(H2,21,22,23,24).
What are the key properties of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide has a molecular weight of 386.39 g/mol, XLogP of -0.13, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 55905845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).