4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyridine-3-carboxamide

C23H28N4O3 — CID 91821636

IUPAC4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyridine-3-carboxamide
SMILESCc1cc(C)n(CC2CCCO2)c(=O)c1C(=O)Nc1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C23H28N4O3/c1-13(2)21-25-18-8-7-16(11-19(18)26-21)24-22(28)20-14(3)10-15(4)27(23(20)29)12-17-6-5-9-30-17/h7-8,10-11,13,17H,5-6,9,12H2,1-4H3,(H,24,28)(H,25,26)
InChIKeyLXQKRPVKZNAMCE-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.90
Rot. Bonds5

About 4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyridine-3-carboxamide

4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyridine-3-carboxamide (PubChem CID 91821636) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyridine-3-carboxamide
PubChem CID91821636
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyridine-3-carboxamide
SMILESCc1cc(C)n(CC2CCCO2)c(=O)c1C(=O)Nc1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C23H28N4O3/c1-13(2)21-25-18-8-7-16(11-19(18)26-21)24-22(28)20-14(3)10-15(4)27(23(20)29)12-17-6-5-9-30-17/h7-8,10-11,13,17H,5-6,9,12H2,1-4H3,(H,24,28)(H,25,26)
InChIKeyLXQKRPVKZNAMCE-UHFFFAOYSA-N
XLogP3.90
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 102564334
N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91822604
N-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 124842257
N-(oxolan-2-ylmethyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765626
N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91823055
N-[2-[2-(hydroxymethyl)benzimidazol-1-yl]ethyl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 110204706
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4,6-dimethyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 124859382
4-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 172671485
N-(1H-indazol-6-yl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765672
N-(4-acetamidophenyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765669
2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 119860398
3-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide
CID 110204352

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyridine-3-carboxamide (CID 91821636) is 4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyridine-3-carboxamide is Cc1cc(C)n(CC2CCCO2)c(=O)c1C(=O)Nc1ccc2nc(C(C)C)[nH]c2c1.
What is the InChIKey of 4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyridine-3-carboxamide?
The InChIKey is LXQKRPVKZNAMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-13(2)21-25-18-8-7-16(11-19(18)26-21)24-22(28)20-14(3)10-15(4)27(23(20)29)12-17-6-5-9-30-17/h7-8,10-11,13,17H,5-6,9,12H2,1-4H3,(H,24,28)(H,25,26).
What are the key properties of 4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyridine-3-carboxamide?
4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyridine-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 91821636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).