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

C20H24N6O6S — CID 71035839

IUPAC6-methyl-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(CCCN3CCOCC3)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)nc1
InChIInChI=1S/C20H24N6O6S/c1-13-16(18(27)24-14-3-4-15(22-11-14)33(21,29)30)17-19(32-13)23-12-26(20(17)28)6-2-5-25-7-9-31-10-8-25/h3-4,11-12H,2,5-10H2,1H3,(H,24,27)(H2,21,29,30)
InChIKeyUBFOQNOPGFWFLF-UHFFFAOYSA-N
MW476.52 g/mol
LogP0.31
Rot. Bonds7

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

6-methyl-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 71035839) has the molecular formula C20H24N6O6S and a molecular weight of 476.52 g/mol. Its IUPAC name is 6-methyl-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID71035839
Molecular FormulaC20H24N6O6S
Molecular Weight476.52 g/mol
Exact Mass476.15
IUPAC Name6-methyl-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(CCCN3CCOCC3)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)nc1
InChIInChI=1S/C20H24N6O6S/c1-13-16(18(27)24-14-3-4-15(22-11-14)33(21,29)30)17-19(32-13)23-12-26(20(17)28)6-2-5-25-7-9-31-10-8-25/h3-4,11-12H,2,5-10H2,1H3,(H,24,27)(H2,21,29,30)
InChIKeyUBFOQNOPGFWFLF-UHFFFAOYSA-N
XLogP0.31
TPSA162.65 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

6-methyl-3-(2-morpholin-4-ylethyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 163336000
3,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55849068
3-[2-(dimethylamino)ethyl]-6-methyl-4-oxo-N-pyridin-3-ylfuro[2,3-d]pyrimidine-5-carboxamide
CID 71035745
2-imino-2-[1-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-4-sulfanylpyrimidin-5-yl]-N-(6-sulfamoyl-3-pyridinyl)acetamide
CID 143746220
N-[6-(dimethylamino)-3-pyridinyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 30295845
3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid
CID 39103403
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209329
3-(3-methoxypropyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950301
3-(2-methoxyethyl)-6-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949952
3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950324
3-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 51064538
5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one
CID 91950213

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide (CID 71035839) is 6-methyl-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncn(CCCN3CCOCC3)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)nc1.
What is the InChIKey of 6-methyl-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is UBFOQNOPGFWFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O6S/c1-13-16(18(27)24-14-3-4-15(22-11-14)33(21,29)30)17-19(32-13)23-12-26(20(17)28)6-2-5-25-7-9-31-10-8-25/h3-4,11-12H,2,5-10H2,1H3,(H,24,27)(H2,21,29,30).
What are the key properties of 6-methyl-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide?
6-methyl-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 476.52 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 71035839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).