(2S,3S)-N-[6-(dimethylamino)pyrimidin-4-yl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide

C17H23N7O2 — CID 167939929

IUPAC(2S,3S)-N-[6-(dimethylamino)pyrimidin-4-yl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCN(C)c1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2nccn2C)ncn1
InChIInChI=1S/C17H23N7O2/c1-22(2)13-9-12(19-10-20-13)21-17(26)11-5-6-14(25)24(4)15(11)16-18-7-8-23(16)3/h7-11,15H,5-6H2,1-4H3,(H,19,20,21,26)/t11-,15-/m0/s1
InChIKeyBQZIZQUVPVWDBX-NHYWBVRUSA-N
MW357.42 g/mol
LogP0.82
Rot. Bonds4

About (2S,3S)-N-[6-(dimethylamino)pyrimidin-4-yl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide

(2S,3S)-N-[6-(dimethylamino)pyrimidin-4-yl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 167939929) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is (2S,3S)-N-[6-(dimethylamino)pyrimidin-4-yl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[6-(dimethylamino)pyrimidin-4-yl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide
PubChem CID167939929
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name(2S,3S)-N-[6-(dimethylamino)pyrimidin-4-yl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide
SMILESCN(C)c1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2nccn2C)ncn1
InChIInChI=1S/C17H23N7O2/c1-22(2)13-9-12(19-10-20-13)21-17(26)11-5-6-14(25)24(4)15(11)16-18-7-8-23(16)3/h7-11,15H,5-6H2,1-4H3,(H,19,20,21,26)/t11-,15-/m0/s1
InChIKeyBQZIZQUVPVWDBX-NHYWBVRUSA-N
XLogP0.82
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3S)-N-[6-(dimethylamino)-2-pyridinyl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 154794240
(2R,3R)-N-[6-(dimethylamino)pyrimidin-4-yl]-2-(1-methylimidazol-2-yl)oxane-3-carboxamide
CID 167747051
(2S,3S)-2-(4-fluorophenyl)-1-methyl-N-(4-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
CID 97457679
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 110281578
(2S,3S)-1-cyclopropyl-2-(1-methylimidazol-2-yl)-6-oxo-N-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 126825160
1-[6-(dimethylamino)pyrimidin-4-yl]-3-[2-(1-methyl-5-oxopyrrolidin-3-yl)ethyl]urea
CID 154770340
(2S,3S)-1-methyl-N-(2-methyl-1,3-dihydroinden-2-yl)-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 138015761
(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95738379
(5R,6R)-5-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)ethylamino]-1-methyl-6-(1-methylimidazol-2-yl)piperidin-2-one
CID 154761804
(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 97457767
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-phenylpiperidine-3-carboxamide
CID 97457685
(5R,6R)-1-methyl-5-[(1-methylbenzimidazol-5-yl)methylamino]-6-(1-methylimidazol-2-yl)piperidin-2-one
CID 154761433

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[6-(dimethylamino)pyrimidin-4-yl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2S,3S)-N-[6-(dimethylamino)pyrimidin-4-yl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide (CID 167939929) is (2S,3S)-N-[6-(dimethylamino)pyrimidin-4-yl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-[6-(dimethylamino)pyrimidin-4-yl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-N-[6-(dimethylamino)pyrimidin-4-yl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide is CN(C)c1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2nccn2C)ncn1.
What is the InChIKey of (2S,3S)-N-[6-(dimethylamino)pyrimidin-4-yl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is BQZIZQUVPVWDBX-NHYWBVRUSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-22(2)13-9-12(19-10-20-13)21-17(26)11-5-6-14(25)24(4)15(11)16-18-7-8-23(16)3/h7-11,15H,5-6H2,1-4H3,(H,19,20,21,26)/t11-,15-/m0/s1.
What are the key properties of (2S,3S)-N-[6-(dimethylamino)pyrimidin-4-yl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide?
(2S,3S)-N-[6-(dimethylamino)pyrimidin-4-yl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[6-(dimethylamino)pyrimidin-4-yl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 167939929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).