6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide;hydrochloride

C19H23ClN6O6S — CID 163336000

IUPAC6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide;hydrochloride
SMILESCc1oc2ncn(CCN3CCOCC3)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)nc1.Cl
InChIInChI=1S/C19H22N6O6S.ClH/c1-12-15(17(26)23-13-2-3-14(21-10-13)32(20,28)29)16-18(31-12)22-11-25(19(16)27)5-4-24-6-8-30-9-7-24;/h2-3,10-11H,4-9H2,1H3,(H,23,26)(H2,20,28,29);1H
InChIKeyNPIKSIAAYSZMGQ-UHFFFAOYSA-N
MW498.95 g/mol
LogP0.35
Rot. Bonds6

About 6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide;hydrochloride

6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide;hydrochloride (PubChem CID 163336000) has the molecular formula C19H23ClN6O6S and a molecular weight of 498.95 g/mol. Its IUPAC name is 6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide;hydrochloride
PubChem CID163336000
Molecular FormulaC19H23ClN6O6S
Molecular Weight498.95 g/mol
Exact Mass498.11
IUPAC Name6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide;hydrochloride
SMILESCc1oc2ncn(CCN3CCOCC3)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)nc1.Cl
InChIInChI=1S/C19H22N6O6S.ClH/c1-12-15(17(26)23-13-2-3-14(21-10-13)32(20,28)29)16-18(31-12)22-11-25(19(16)27)5-4-24-6-8-30-9-7-24;/h2-3,10-11H,4-9H2,1H3,(H,23,26)(H2,20,28,29);1H
InChIKeyNPIKSIAAYSZMGQ-UHFFFAOYSA-N
XLogP0.35
TPSA162.65 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.95
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of 6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide;hydrochloride (CID 163336000) is 6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for 6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for 6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide;hydrochloride is Cc1oc2ncn(CCN3CCOCC3)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)nc1.Cl.
What is the InChIKey of 6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide;hydrochloride?
The InChIKey is NPIKSIAAYSZMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O6S.ClH/c1-12-15(17(26)23-13-2-3-14(21-10-13)32(20,28)29)16-18(31-12)22-11-25(19(16)27)5-4-24-6-8-30-9-7-24;/h2-3,10-11H,4-9H2,1H3,(H,23,26)(H2,20,28,29);1H.
What are the key properties of 6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide;hydrochloride?
6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 498.95 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 163336000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).