(2S,3S)-N-[6-(dimethylamino)-2-pyridinyl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide

C18H24N6O2 — CID 154794240

IUPAC(2S,3S)-N-[6-(dimethylamino)-2-pyridinyl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCN(C)c1cccc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2nccn2C)n1
InChIInChI=1S/C18H24N6O2/c1-22(2)14-7-5-6-13(20-14)21-18(26)12-8-9-15(25)24(4)16(12)17-19-10-11-23(17)3/h5-7,10-12,16H,8-9H2,1-4H3,(H,20,21,26)/t12-,16-/m0/s1
InChIKeyGKHWNVQSGHFEJH-LRDDRELGSA-N
MW356.43 g/mol
LogP1.43
Rot. Bonds4

About (2S,3S)-N-[6-(dimethylamino)-2-pyridinyl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide

(2S,3S)-N-[6-(dimethylamino)-2-pyridinyl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 154794240) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (2S,3S)-N-[6-(dimethylamino)-2-pyridinyl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[6-(dimethylamino)-2-pyridinyl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide
PubChem CID154794240
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name(2S,3S)-N-[6-(dimethylamino)-2-pyridinyl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCN(C)c1cccc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2nccn2C)n1
InChIInChI=1S/C18H24N6O2/c1-22(2)14-7-5-6-13(20-14)21-18(26)12-8-9-15(25)24(4)16(12)17-19-10-11-23(17)3/h5-7,10-12,16H,8-9H2,1-4H3,(H,20,21,26)/t12-,16-/m0/s1
InChIKeyGKHWNVQSGHFEJH-LRDDRELGSA-N
XLogP1.43
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-N-[6-(dimethylamino)pyrimidin-4-yl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 167939929
2-(3-fluorophenyl)-1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
CID 71689537
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 110281578
(2S,3S)-1-methyl-N-(2-methyl-1,3-dihydroinden-2-yl)-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 138015761
(2R,3R)-N-[6-(dimethylamino)pyrimidin-4-yl]-2-(1-methylimidazol-2-yl)oxane-3-carboxamide
CID 167747051
(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95738379
N-[6-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]cyclobutanecarboxamide
CID 58997278
(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 97457767
(2S,3S)-1-cyclopropyl-2-(1-methylimidazol-2-yl)-6-oxo-N-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 126825160
(2S,3S)-1-(1,3-benzodioxol-4-ylmethyl)-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxylic acid
CID 167819683
(2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 95738812
(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(4-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
CID 97457679

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[6-(dimethylamino)-2-pyridinyl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2S,3S)-N-[6-(dimethylamino)-2-pyridinyl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide (CID 154794240) is (2S,3S)-N-[6-(dimethylamino)-2-pyridinyl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-[6-(dimethylamino)-2-pyridinyl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-N-[6-(dimethylamino)-2-pyridinyl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide is CN(C)c1cccc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2nccn2C)n1.
What is the InChIKey of (2S,3S)-N-[6-(dimethylamino)-2-pyridinyl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is GKHWNVQSGHFEJH-LRDDRELGSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-22(2)14-7-5-6-13(20-14)21-18(26)12-8-9-15(25)24(4)16(12)17-19-10-11-23(17)3/h5-7,10-12,16H,8-9H2,1-4H3,(H,20,21,26)/t12-,16-/m0/s1.
What are the key properties of (2S,3S)-N-[6-(dimethylamino)-2-pyridinyl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide?
(2S,3S)-N-[6-(dimethylamino)-2-pyridinyl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[6-(dimethylamino)-2-pyridinyl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 154794240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).