6-cyclobutyl-4-methyl-N-(3-methylbenzimidazol-5-yl)-2-oxopyran-3-carboxamide

C19H19N3O3 — CID 170513145

IUPAC6-cyclobutyl-4-methyl-N-(3-methylbenzimidazol-5-yl)-2-oxopyran-3-carboxamide
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)Nc1ccc2ncn(C)c2c1
InChIInChI=1S/C19H19N3O3/c1-11-8-16(12-4-3-5-12)25-19(24)17(11)18(23)21-13-6-7-14-15(9-13)22(2)10-20-14/h6-10,12H,3-5H2,1-2H3,(H,21,23)
InChIKeyKNIYDDBDZRFWIK-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.35
Rot. Bonds3

About 6-cyclobutyl-4-methyl-N-(3-methylbenzimidazol-5-yl)-2-oxopyran-3-carboxamide

6-cyclobutyl-4-methyl-N-(3-methylbenzimidazol-5-yl)-2-oxopyran-3-carboxamide (PubChem CID 170513145) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-cyclobutyl-4-methyl-N-(3-methylbenzimidazol-5-yl)-2-oxopyran-3-carboxamide.

Molecular Properties

Compound Name6-cyclobutyl-4-methyl-N-(3-methylbenzimidazol-5-yl)-2-oxopyran-3-carboxamide
PubChem CID170513145
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name6-cyclobutyl-4-methyl-N-(3-methylbenzimidazol-5-yl)-2-oxopyran-3-carboxamide
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)Nc1ccc2ncn(C)c2c1
InChIInChI=1S/C19H19N3O3/c1-11-8-16(12-4-3-5-12)25-19(24)17(11)18(23)21-13-6-7-14-15(9-13)22(2)10-20-14/h6-10,12H,3-5H2,1-2H3,(H,21,23)
InChIKeyKNIYDDBDZRFWIK-UHFFFAOYSA-N
XLogP3.35
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclobutyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxopyran-3-carboxamide
CID 170502948
methyl 3-[(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)amino]benzoate
CID 170505549
N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170507137
6-cyclobutyl-4-methyl-N-(1,7-naphthyridin-8-yl)-2-oxopyran-3-carboxamide
CID 170503536
4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170511961
6-cyclobutyl-N-(2,6-dimethoxy-3-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide
CID 170509223
4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171709128
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
6-cyclobutyl-4-methyl-N-(2-methyl-1-benzofuran-7-yl)-2-oxopyran-3-carboxamide
CID 170511370
N-(4-butoxyphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170510382
5-tert-butyl-N-(3-methylbenzimidazol-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 46977170

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-4-methyl-N-(3-methylbenzimidazol-5-yl)-2-oxopyran-3-carboxamide?
The IUPAC name of 6-cyclobutyl-4-methyl-N-(3-methylbenzimidazol-5-yl)-2-oxopyran-3-carboxamide (CID 170513145) is 6-cyclobutyl-4-methyl-N-(3-methylbenzimidazol-5-yl)-2-oxopyran-3-carboxamide.
What is the SMILES notation for 6-cyclobutyl-4-methyl-N-(3-methylbenzimidazol-5-yl)-2-oxopyran-3-carboxamide?
The canonical SMILES for 6-cyclobutyl-4-methyl-N-(3-methylbenzimidazol-5-yl)-2-oxopyran-3-carboxamide is Cc1cc(C2CCC2)oc(=O)c1C(=O)Nc1ccc2ncn(C)c2c1.
What is the InChIKey of 6-cyclobutyl-4-methyl-N-(3-methylbenzimidazol-5-yl)-2-oxopyran-3-carboxamide?
The InChIKey is KNIYDDBDZRFWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-11-8-16(12-4-3-5-12)25-19(24)17(11)18(23)21-13-6-7-14-15(9-13)22(2)10-20-14/h6-10,12H,3-5H2,1-2H3,(H,21,23).
What are the key properties of 6-cyclobutyl-4-methyl-N-(3-methylbenzimidazol-5-yl)-2-oxopyran-3-carboxamide?
6-cyclobutyl-4-methyl-N-(3-methylbenzimidazol-5-yl)-2-oxopyran-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-4-methyl-N-(3-methylbenzimidazol-5-yl)-2-oxopyran-3-carboxamide is sourced from PubChem (CID 170513145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).