5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide

C21H26ClN3O2 — CID 90150987

IUPAC5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide
SMILESCc1cc(C)c(CNC(=O)c2cc(Cl)cc(N3CCCCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C21H26ClN3O2/c1-13-9-14(2)24-21(27)18(13)12-23-20(26)17-10-16(22)11-19(15(17)3)25-7-5-4-6-8-25/h9-11H,4-8,12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyNXIWPLVNCCSREZ-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.87
Rot. Bonds4

About 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide

5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide (PubChem CID 90150987) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide
PubChem CID90150987
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide
SMILESCc1cc(C)c(CNC(=O)c2cc(Cl)cc(N3CCCCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C21H26ClN3O2/c1-13-9-14(2)24-21(27)18(13)12-23-20(26)17-10-16(22)11-19(15(17)3)25-7-5-4-6-8-25/h9-11H,4-8,12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyNXIWPLVNCCSREZ-UHFFFAOYSA-N
XLogP3.87
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2,5-dioxopyrrolidin-1-yl)-2-methylbenzamide
CID 70913209
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)benzamide
CID 70913266
5-chloro-3-[cyclohexyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 66576312
2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-piperidin-1-ylpyridine-4-carboxamide
CID 86672645
5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90151271
5-chloro-3-[cyclopentylmethyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90150984
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]benzamide
CID 90151316
3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 140752518
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-methylamino]-2-methylbenzamide
CID 66576544
tert-butyl 3-[1-[5-chloro-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylphenyl]ethylamino]pyrrolidine-1-carboxylate
CID 122684865
2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
CID 134340791
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(2-methylpyrrolidin-1-yl)thiophene-3-carboxamide
CID 86763480

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide?
The IUPAC name of 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide (CID 90150987) is 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide?
The canonical SMILES for 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide is Cc1cc(C)c(CNC(=O)c2cc(Cl)cc(N3CCCCC3)c2C)c(=O)[nH]1.
What is the InChIKey of 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide?
The InChIKey is NXIWPLVNCCSREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-13-9-14(2)24-21(27)18(13)12-23-20(26)17-10-16(22)11-19(15(17)3)25-7-5-4-6-8-25/h9-11H,4-8,12H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide?
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide has a molecular weight of 387.91 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide is sourced from PubChem (CID 90150987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).