4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide

C19H22N4O3 — CID 172665223

IUPAC4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide
SMILESCc1ccn(CCC(C)C)c(=O)c1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H22N4O3/c1-11(2)6-8-23-9-7-12(3)16(18(23)25)17(24)20-13-4-5-14-15(10-13)22-19(26)21-14/h4-5,7,9-11H,6,8H2,1-3H3,(H,20,24)(H2,21,22,26)
InChIKeyZDXZODJZNGWMMQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.62
Rot. Bonds5

About 4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide

4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide (PubChem CID 172665223) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide
PubChem CID172665223
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide
SMILESCc1ccn(CCC(C)C)c(=O)c1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H22N4O3/c1-11(2)6-8-23-9-7-12(3)16(18(23)25)17(24)20-13-4-5-14-15(10-13)22-19(26)21-14/h4-5,7,9-11H,6,8H2,1-3H3,(H,20,24)(H2,21,22,26)
InChIKeyZDXZODJZNGWMMQ-UHFFFAOYSA-N
XLogP2.62
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide (CID 172665223) is 4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide is Cc1ccn(CCC(C)C)c(=O)c1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide?
The InChIKey is ZDXZODJZNGWMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-11(2)6-8-23-9-7-12(3)16(18(23)25)17(24)20-13-4-5-14-15(10-13)22-19(26)21-14/h4-5,7,9-11H,6,8H2,1-3H3,(H,20,24)(H2,21,22,26).
What are the key properties of 4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide?
4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 172665223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).