4-methyl-N-(2-methyl-1H-benzimidazol-4-yl)-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide

C19H19N3O4 — CID 170502476

IUPAC4-methyl-N-(2-methyl-1H-benzimidazol-4-yl)-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
SMILESCc1nc2c(NC(=O)c3c(C)cc(C4CCCO4)oc3=O)cccc2[nH]1
InChIInChI=1S/C19H19N3O4/c1-10-9-15(14-7-4-8-25-14)26-19(24)16(10)18(23)22-13-6-3-5-12-17(13)21-11(2)20-12/h3,5-6,9,14H,4,7-8H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyJENHWRLDXJRUPB-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.24
Rot. Bonds3

About 4-methyl-N-(2-methyl-1H-benzimidazol-4-yl)-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide

4-methyl-N-(2-methyl-1H-benzimidazol-4-yl)-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide (PubChem CID 170502476) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-1H-benzimidazol-4-yl)-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-1H-benzimidazol-4-yl)-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
PubChem CID170502476
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name4-methyl-N-(2-methyl-1H-benzimidazol-4-yl)-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
SMILESCc1nc2c(NC(=O)c3c(C)cc(C4CCCO4)oc3=O)cccc2[nH]1
InChIInChI=1S/C19H19N3O4/c1-10-9-15(14-7-4-8-25-14)26-19(24)16(10)18(23)22-13-6-3-5-12-17(13)21-11(2)20-12/h3,5-6,9,14H,4,7-8H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyJENHWRLDXJRUPB-UHFFFAOYSA-N
XLogP3.24
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1H-inden-4-yl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170507768
4-methyl-2-oxo-6-(oxolan-2-yl)-N-(5-phenyl-1H-pyrazol-4-yl)pyran-3-carboxamide
CID 170505604
N-(6-ethyl-2-pyridinyl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170507077
N-(4-methoxy-2-methylphenyl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170504391
6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide
CID 170511370
4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170511961
6-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(1H-indazol-4-yl)-4-methyl-2-oxopyran-3-carboxamide
CID 171388473
4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171709128
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170505635
4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
CID 170510231
N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 171387971
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170508266

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-1H-benzimidazol-4-yl)-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide?
The IUPAC name of 4-methyl-N-(2-methyl-1H-benzimidazol-4-yl)-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide (CID 170502476) is 4-methyl-N-(2-methyl-1H-benzimidazol-4-yl)-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-1H-benzimidazol-4-yl)-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methyl-1H-benzimidazol-4-yl)-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide is Cc1nc2c(NC(=O)c3c(C)cc(C4CCCO4)oc3=O)cccc2[nH]1.
What is the InChIKey of 4-methyl-N-(2-methyl-1H-benzimidazol-4-yl)-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide?
The InChIKey is JENHWRLDXJRUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-10-9-15(14-7-4-8-25-14)26-19(24)16(10)18(23)22-13-6-3-5-12-17(13)21-11(2)20-12/h3,5-6,9,14H,4,7-8H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 4-methyl-N-(2-methyl-1H-benzimidazol-4-yl)-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide?
4-methyl-N-(2-methyl-1H-benzimidazol-4-yl)-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-1H-benzimidazol-4-yl)-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide is sourced from PubChem (CID 170502476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).