5-chloro-4,6-dimethyl-3-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

C17H21ClN4O2 — CID 70710948

IUPAC5-chloro-4,6-dimethyl-3-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(C(=O)N2CCC(c3nccn3C)CC2)c(C)c1Cl
InChIInChI=1S/C17H21ClN4O2/c1-10-13(16(23)20-11(2)14(10)18)17(24)22-7-4-12(5-8-22)15-19-6-9-21(15)3/h6,9,12H,4-5,7-8H2,1-3H3,(H,20,23)
InChIKeyHUSYNGHUHGPLTA-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.40
Rot. Bonds2

About 5-chloro-4,6-dimethyl-3-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

5-chloro-4,6-dimethyl-3-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 70710948) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 5-chloro-4,6-dimethyl-3-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-4,6-dimethyl-3-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID70710948
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name5-chloro-4,6-dimethyl-3-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(C(=O)N2CCC(c3nccn3C)CC2)c(C)c1Cl
InChIInChI=1S/C17H21ClN4O2/c1-10-13(16(23)20-11(2)14(10)18)17(24)22-7-4-12(5-8-22)15-19-6-9-21(15)3/h6,9,12H,4-5,7-8H2,1-3H3,(H,20,23)
InChIKeyHUSYNGHUHGPLTA-UHFFFAOYSA-N
XLogP2.40
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4,6-dimethyl-1H-pyridin-2-one
CID 74247889
4,5,6-trimethyl-3-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 91833899
6-ethyl-5-methyl-3-[3-(1-methylimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 154780104
5-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 72912139
propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate
CID 72932190
1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone
CID 72896741
5-chloro-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 72856586
[4-(1-methylimidazol-2-yl)piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 74245032
3-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 97276128
2-methyl-6-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 72927882
[4-(1-methylimidazol-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
CID 70788203
(2-amino-4-methyl-1,3-benzothiazol-6-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 70748965

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,6-dimethyl-3-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-chloro-4,6-dimethyl-3-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 70710948) is 5-chloro-4,6-dimethyl-3-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-4,6-dimethyl-3-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-4,6-dimethyl-3-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1[nH]c(=O)c(C(=O)N2CCC(c3nccn3C)CC2)c(C)c1Cl.
What is the InChIKey of 5-chloro-4,6-dimethyl-3-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is HUSYNGHUHGPLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-10-13(16(23)20-11(2)14(10)18)17(24)22-7-4-12(5-8-22)15-19-6-9-21(15)3/h6,9,12H,4-5,7-8H2,1-3H3,(H,20,23).
What are the key properties of 5-chloro-4,6-dimethyl-3-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
5-chloro-4,6-dimethyl-3-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 348.83 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,6-dimethyl-3-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 70710948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).