N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

C22H26N4O3 — CID 170507137

IUPACN-(2-ethyl-1-methylbenzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
SMILESCCc1nc2cc(NC(=O)c3c(C)cc(C4CCCNC4)oc3=O)ccc2n1C
InChIInChI=1S/C22H26N4O3/c1-4-19-25-16-11-15(7-8-17(16)26(19)3)24-21(27)20-13(2)10-18(29-22(20)28)14-6-5-9-23-12-14/h7-8,10-11,14,23H,4-6,9,12H2,1-3H3,(H,24,27)
InChIKeyBEJSURXLRCEHLC-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.12
Rot. Bonds4

About N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (PubChem CID 170507137) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-1-methylbenzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
PubChem CID170507137
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-(2-ethyl-1-methylbenzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
SMILESCCc1nc2cc(NC(=O)c3c(C)cc(C4CCCNC4)oc3=O)ccc2n1C
InChIInChI=1S/C22H26N4O3/c1-4-19-25-16-11-15(7-8-17(16)26(19)3)24-21(27)20-13(2)10-18(29-22(20)28)14-6-5-9-23-12-14/h7-8,10-11,14,23H,4-6,9,12H2,1-3H3,(H,24,27)
InChIKeyBEJSURXLRCEHLC-UHFFFAOYSA-N
XLogP3.12
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide with MolForge

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Related Compounds

N-(4-butoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170510382
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171712491
N-(4-ethyl-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504297
N-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 171387824
4-methyl-2-oxo-6-piperidin-3-yl-N-(2,5,6-trimethyl-3-pyridinyl)pyran-3-carboxamide;dihydrochloride
CID 171709033
N-(3-cyclopentyloxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171710732
N-[3-(dimethylsulfamoylamino)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504605
N-(3-hydroxy-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170509910
6-cyclobutyl-4-methyl-N-(3-methylbenzimidazol-5-yl)-2-oxopyran-3-carboxamide
CID 170513145
N-[3-(dimethylsulfamoylamino)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171708402
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170506338
N-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 171386392

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The IUPAC name of N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (CID 170507137) is N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The canonical SMILES for N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is CCc1nc2cc(NC(=O)c3c(C)cc(C4CCCNC4)oc3=O)ccc2n1C.
What is the InChIKey of N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The InChIKey is BEJSURXLRCEHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-4-19-25-16-11-15(7-8-17(16)26(19)3)24-21(27)20-13(2)10-18(29-22(20)28)14-6-5-9-23-12-14/h7-8,10-11,14,23H,4-6,9,12H2,1-3H3,(H,24,27).
What are the key properties of N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is sourced from PubChem (CID 170507137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).