N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C24H31N5O3 — CID 91823055

IUPACN-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1cc(C)n(CC2CCCO2)c(=O)c1C(=O)Nc1ccc2c(c1)ncn2CCN(C)C
InChIInChI=1S/C24H31N5O3/c1-16-12-17(2)29(14-19-6-5-11-32-19)24(31)22(16)23(30)26-18-7-8-21-20(13-18)25-15-28(21)10-9-27(3)4/h7-8,12-13,15,19H,5-6,9-11,14H2,1-4H3,(H,26,30)
InChIKeyHHOUJLJXFUVOCV-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.81
Rot. Bonds7

About N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide

N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 91823055) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID91823055
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC NameN-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1cc(C)n(CC2CCCO2)c(=O)c1C(=O)Nc1ccc2c(c1)ncn2CCN(C)C
InChIInChI=1S/C24H31N5O3/c1-16-12-17(2)29(14-19-6-5-11-32-19)24(31)22(16)23(30)26-18-7-8-21-20(13-18)25-15-28(21)10-9-27(3)4/h7-8,12-13,15,19H,5-6,9-11,14H2,1-4H3,(H,26,30)
InChIKeyHHOUJLJXFUVOCV-UHFFFAOYSA-N
XLogP2.81
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 124842257
N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91822604
4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyridine-3-carboxamide
CID 91821636
N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 167866814
N-[2-[2-(hydroxymethyl)benzimidazol-1-yl]ethyl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 110204706
1-(oxan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 54942703
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4,6-dimethyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 124859382
N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzimidazol-5-yl]cyclopropanecarboxamide
CID 52901021
1-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzimidazole-5-carboxamide
CID 131938687
N-(1-ethylbenzimidazol-5-yl)-4-oxo-3-(oxolan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
CID 46958006
methyl 3-(oxan-2-ylmethyl)benzimidazole-5-carboxylate
CID 175810663
N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide
CID 122169438

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 91823055) is N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide is Cc1cc(C)n(CC2CCCO2)c(=O)c1C(=O)Nc1ccc2c(c1)ncn2CCN(C)C.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is HHOUJLJXFUVOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-16-12-17(2)29(14-19-6-5-11-32-19)24(31)22(16)23(30)26-18-7-8-21-20(13-18)25-15-28(21)10-9-27(3)4/h7-8,12-13,15,19H,5-6,9-11,14H2,1-4H3,(H,26,30).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 91823055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).