N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

C21H24N4O3 — CID 171387971

IUPACN-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)Nc1cc2[nH]cnc2c(C)c1C
InChIInChI=1S/C21H24N4O3/c1-11-7-17(14-5-4-6-22-9-14)28-21(27)18(11)20(26)25-15-8-16-19(24-10-23-16)13(3)12(15)2/h7-8,10,14,22H,4-6,9H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyBINQVBAPZSVXSV-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.16
Rot. Bonds3

About N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (PubChem CID 171387971) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.

Molecular Properties

Compound NameN-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
PubChem CID171387971
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)Nc1cc2[nH]cnc2c(C)c1C
InChIInChI=1S/C21H24N4O3/c1-11-7-17(14-5-4-6-22-9-14)28-21(27)18(11)20(26)25-15-8-16-19(24-10-23-16)13(3)12(15)2/h7-8,10,14,22H,4-6,9H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyBINQVBAPZSVXSV-UHFFFAOYSA-N
XLogP3.16
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171991734
4-methyl-2-oxo-6-piperidin-3-yl-N-(2,5,6-trimethyl-3-pyridinyl)pyran-3-carboxamide;dihydrochloride
CID 171709033
N-(2-fluoro-5-methylphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170511577
N-(3-hydroxy-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170509910
N-(4-ethyl-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504297
N-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 171386392
N-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 171387824
N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171713133
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-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170506338
N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170507480

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The IUPAC name of N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (CID 171387971) is N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.
What is the SMILES notation for N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The canonical SMILES for N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is Cc1cc(C2CCCNC2)oc(=O)c1C(=O)Nc1cc2[nH]cnc2c(C)c1C.
What is the InChIKey of N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The InChIKey is BINQVBAPZSVXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-11-7-17(14-5-4-6-22-9-14)28-21(27)18(11)20(26)25-15-8-16-19(24-10-23-16)13(3)12(15)2/h7-8,10,14,22H,4-6,9H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is sourced from PubChem (CID 171387971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).