N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide

C23H26N6O — CID 55862417

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
SMILESCCC(C)C(NC(=O)c1ccc(-n2nc(C)cc2C)nc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H26N6O/c1-5-14(2)21(22-25-18-8-6-7-9-19(18)26-22)27-23(30)17-10-11-20(24-13-17)29-16(4)12-15(3)28-29/h6-14,21H,5H2,1-4H3,(H,25,26)(H,27,30)
InChIKeyVWBWIBUTENQCSA-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.28
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide

N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 55862417) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
PubChem CID55862417
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
SMILESCCC(C)C(NC(=O)c1ccc(-n2nc(C)cc2C)nc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H26N6O/c1-5-14(2)21(22-25-18-8-6-7-9-19(18)26-22)27-23(30)17-10-11-20(24-13-17)29-16(4)12-15(3)28-29/h6-14,21H,5H2,1-4H3,(H,25,26)(H,27,30)
InChIKeyVWBWIBUTENQCSA-UHFFFAOYSA-N
XLogP4.28
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,4-dimethoxybenzamide
CID 55812543
N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide
CID 51960123
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 78806694
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-ethoxy-4-methoxybenzamide
CID 55814527
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 94613930
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 55814441
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(propylsulfonylamino)benzamide
CID 51966007
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55863434
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(methylsulfonylmethyl)benzamide
CID 55812354
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55877710
N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55862157
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55882295

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide (CID 55862417) is N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide is CCC(C)C(NC(=O)c1ccc(-n2nc(C)cc2C)nc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The InChIKey is VWBWIBUTENQCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-5-14(2)21(22-25-18-8-6-7-9-19(18)26-22)27-23(30)17-10-11-20(24-13-17)29-16(4)12-15(3)28-29/h6-14,21H,5H2,1-4H3,(H,25,26)(H,27,30).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 55862417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).