N,N-diethyl-4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidine-5-carboxamide

C19H28N6O3S — CID 110247837

IUPACN,N-diethyl-4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(C2CCCCN2S(=O)(=O)c2cn(C)cn2)nc1C
InChIInChI=1S/C19H28N6O3S/c1-5-24(6-2)19(26)15-11-20-18(22-14(15)3)16-9-7-8-10-25(16)29(27,28)17-12-23(4)13-21-17/h11-13,16H,5-10H2,1-4H3
InChIKeyYVMHGMJRJSHACB-UHFFFAOYSA-N
MW420.54 g/mol
LogP1.92
Rot. Bonds6

About N,N-diethyl-4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidine-5-carboxamide

N,N-diethyl-4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidine-5-carboxamide (PubChem CID 110247837) has the molecular formula C19H28N6O3S and a molecular weight of 420.54 g/mol. Its IUPAC name is N,N-diethyl-4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidine-5-carboxamide
PubChem CID110247837
Molecular FormulaC19H28N6O3S
Molecular Weight420.54 g/mol
Exact Mass420.19
IUPAC NameN,N-diethyl-4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(C2CCCCN2S(=O)(=O)c2cn(C)cn2)nc1C
InChIInChI=1S/C19H28N6O3S/c1-5-24(6-2)19(26)15-11-20-18(22-14(15)3)16-9-7-8-10-25(16)29(27,28)17-12-23(4)13-21-17/h11-13,16H,5-10H2,1-4H3
InChIKeyYVMHGMJRJSHACB-UHFFFAOYSA-N
XLogP1.92
TPSA101.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-methylpyrimidine-5-carboxamide
CID 110247833
ethyl 1-(1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate
CID 20958581
N,N-diethyl-4-methyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 95806803
N,N-diethyl-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110249024
N,N-diethyl-4-methyl-2-[(2R)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 95806040
[2-[(2R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone
CID 92639965
N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine-3-carboxamide
CID 92625334
5-methyl-3-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 110271194
7-(cyclopropylmethyl)-4-methyl-2-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92629452
7-(cyclopropylmethyl)-4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261661
N,N-dimethyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
CID 127245167
(2S)-1-(1-methylimidazol-4-yl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95824716

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N,N-diethyl-4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidine-5-carboxamide (CID 110247837) is N,N-diethyl-4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N,N-diethyl-4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N,N-diethyl-4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidine-5-carboxamide is CCN(CC)C(=O)c1cnc(C2CCCCN2S(=O)(=O)c2cn(C)cn2)nc1C.
What is the InChIKey of N,N-diethyl-4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is YVMHGMJRJSHACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3S/c1-5-24(6-2)19(26)15-11-20-18(22-14(15)3)16-9-7-8-10-25(16)29(27,28)17-12-23(4)13-21-17/h11-13,16H,5-10H2,1-4H3.
What are the key properties of N,N-diethyl-4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidine-5-carboxamide?
N,N-diethyl-4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 110247837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).