N,N-diethyl-3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide

C17H30N6O2S — CID 110262139

IUPACN,N-diethyl-3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCCC(c2nc3c(c(NC)n2)CNCC3)C1
InChIInChI=1S/C17H30N6O2S/c1-4-22(5-2)26(24,25)23-10-6-7-13(12-23)16-20-15-8-9-19-11-14(15)17(18-3)21-16/h13,19H,4-12H2,1-3H3,(H,18,20,21)
InChIKeyNTDPVAXTKCVHRI-UHFFFAOYSA-N
MW382.53 g/mol
LogP0.93
Rot. Bonds6

About N,N-diethyl-3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide

N,N-diethyl-3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide (PubChem CID 110262139) has the molecular formula C17H30N6O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is N,N-diethyl-3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide
PubChem CID110262139
Molecular FormulaC17H30N6O2S
Molecular Weight382.53 g/mol
Exact Mass382.22
IUPAC NameN,N-diethyl-3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCCC(c2nc3c(c(NC)n2)CNCC3)C1
InChIInChI=1S/C17H30N6O2S/c1-4-22(5-2)26(24,25)23-10-6-7-13(12-23)16-20-15-8-9-19-11-14(15)17(18-3)21-16/h13,19H,4-12H2,1-3H3,(H,18,20,21)
InChIKeyNTDPVAXTKCVHRI-UHFFFAOYSA-N
XLogP0.93
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 175661679
2-cyclobutyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 105473130
1-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110082226
2-[(3R)-1-acetylpyrrolidin-3-yl]-N,N-diethyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-sulfonamide
CID 125024170
N-methyl-2-[1-(2-phenylethyl)piperidin-3-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 110262146
N-(2-fluorophenyl)-2-[(3S)-3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]acetamide
CID 92625639
N-(2-fluorophenyl)-2-[(3R)-3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]acetamide
CID 92625638
1-[2-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110082221
2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-sulfonamide
CID 110262500
2-cyclopentyl-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 105491818
7-ethylsulfonyl-N-methyl-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 92625472
2-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 92624840

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide?
The IUPAC name of N,N-diethyl-3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide (CID 110262139) is N,N-diethyl-3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCCC(c2nc3c(c(NC)n2)CNCC3)C1.
What is the InChIKey of N,N-diethyl-3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide?
The InChIKey is NTDPVAXTKCVHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O2S/c1-4-22(5-2)26(24,25)23-10-6-7-13(12-23)16-20-15-8-9-19-11-14(15)17(18-3)21-16/h13,19H,4-12H2,1-3H3,(H,18,20,21).
What are the key properties of N,N-diethyl-3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide?
N,N-diethyl-3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide has a molecular weight of 382.53 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 110262139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).