2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-sulfonamide

C19H32N6O3S — CID 110262500

IUPAC2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCc2nc(C3CCCCN3C(C)=O)nc(NC)c2C1
InChIInChI=1S/C19H32N6O3S/c1-5-23(6-2)29(27,28)24-12-10-16-15(13-24)18(20-4)22-19(21-16)17-9-7-8-11-25(17)14(3)26/h17H,5-13H2,1-4H3,(H,20,21,22)
InChIKeyUSRWTOORHIWGRB-UHFFFAOYSA-N
MW424.57 g/mol
LogP1.54
Rot. Bonds6

About 2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-sulfonamide

2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-sulfonamide (PubChem CID 110262500) has the molecular formula C19H32N6O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-sulfonamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-sulfonamide
PubChem CID110262500
Molecular FormulaC19H32N6O3S
Molecular Weight424.57 g/mol
Exact Mass424.23
IUPAC Name2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCc2nc(C3CCCCN3C(C)=O)nc(NC)c2C1
InChIInChI=1S/C19H32N6O3S/c1-5-23(6-2)29(27,28)24-12-10-16-15(13-24)18(20-4)22-19(21-16)17-9-7-8-11-25(17)14(3)26/h17H,5-13H2,1-4H3,(H,20,21,22)
InChIKeyUSRWTOORHIWGRB-UHFFFAOYSA-N
XLogP1.54
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(1-acetylpiperidin-2-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(dimethylamino)ethanone
CID 110262209
1-[(2S)-2-[6-(2-hydroxyethyl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 124962527
2-[(3R)-1-acetylpyrrolidin-3-yl]-N,N-diethyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-sulfonamide
CID 125024170
1-[(2S)-2-[7-(2-chlorophenyl)sulfonyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 92622936
1-[2-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110082221
1-[(2R)-2-[7-(3,4-dimethylphenyl)sulfonyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 92622985
1-[2-(1-acetylpiperidin-2-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methoxyphenyl)ethanone
CID 110262505
N-[1-[2-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]cyclohexyl]acetamide
CID 110262407
1-[(2S)-2-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95840022
[4-(ethoxymethyl)phenyl]-[(2S)-2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 95832423
1-[2-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 110262453
1-[(2S)-2-[4-(methylamino)-7-[(2-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 92622932

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-sulfonamide?
The IUPAC name of 2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-sulfonamide (CID 110262500) is 2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-sulfonamide.
What is the SMILES notation for 2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-sulfonamide?
The canonical SMILES for 2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-sulfonamide is CCN(CC)S(=O)(=O)N1CCc2nc(C3CCCCN3C(C)=O)nc(NC)c2C1.
What is the InChIKey of 2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-sulfonamide?
The InChIKey is USRWTOORHIWGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O3S/c1-5-23(6-2)29(27,28)24-12-10-16-15(13-24)18(20-4)22-19(21-16)17-9-7-8-11-25(17)14(3)26/h17H,5-13H2,1-4H3,(H,20,21,22).
What are the key properties of 2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-sulfonamide?
2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-sulfonamide has a molecular weight of 424.57 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-sulfonamide is sourced from PubChem (CID 110262500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).