N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

C21H27N3O3 — CID 170507480

IUPACN-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
SMILESCc1cnc(CCNC(=O)c2c(C)cc(C3CCCNC3)oc2=O)c(C)c1
InChIInChI=1S/C21H27N3O3/c1-13-9-14(2)17(24-11-13)6-8-23-20(25)19-15(3)10-18(27-21(19)26)16-5-4-7-22-12-16/h9-11,16,22H,4-8,12H2,1-3H3,(H,23,25)
InChIKeyHWUPODYWTGCBRE-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.40
Rot. Bonds5

About N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (PubChem CID 170507480) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
PubChem CID170507480
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
SMILESCc1cnc(CCNC(=O)c2c(C)cc(C3CCCNC3)oc2=O)c(C)c1
InChIInChI=1S/C21H27N3O3/c1-13-9-14(2)17(24-11-13)6-8-23-20(25)19-15(3)10-18(27-21(19)26)16-5-4-7-22-12-16/h9-11,16,22H,4-8,12H2,1-3H3,(H,23,25)
InChIKeyHWUPODYWTGCBRE-UHFFFAOYSA-N
XLogP2.40
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 169412165
4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171710778
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171710142
4-methyl-2-oxo-6-piperidin-3-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyran-3-carboxamide;hydrochloride
CID 171707518
4-methyl-2-oxo-N-(2-phenylmethoxyethyl)-6-piperidin-3-ylpyran-3-carboxamide
CID 170512267
4-methyl-2-oxo-6-piperidin-3-yl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide;hydrochloride
CID 171709894
N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170513093
N-(4-ethyl-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504297
N-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504651
methyl 3-[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]cyclobutane-1-carboxylate
CID 170507450
6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide
CID 171389472
N-(3-hydroxy-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170509910

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (CID 170507480) is N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is Cc1cnc(CCNC(=O)c2c(C)cc(C3CCCNC3)oc2=O)c(C)c1.
What is the InChIKey of N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The InChIKey is HWUPODYWTGCBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-13-9-14(2)17(24-11-13)6-8-23-20(25)19-15(3)10-18(27-21(19)26)16-5-4-7-22-12-16/h9-11,16,22H,4-8,12H2,1-3H3,(H,23,25).
What are the key properties of N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is sourced from PubChem (CID 170507480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).