N-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide

C26H36N4O — CID 16965703

IUPACN-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
SMILESCCCCCCCCCCCn1c(CN(C)C(=O)c2ccncc2)nc2ccccc21
InChIInChI=1S/C26H36N4O/c1-3-4-5-6-7-8-9-10-13-20-30-24-15-12-11-14-23(24)28-25(30)21-29(2)26(31)22-16-18-27-19-17-22/h11-12,14-19H,3-10,13,20-21H2,1-2H3
InChIKeyXUPUNRJGCNFHDW-UHFFFAOYSA-N
MW420.60 g/mol
LogP6.23
Rot. Bonds13

About N-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide

N-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 16965703) has the molecular formula C26H36N4O and a molecular weight of 420.60 g/mol. Its IUPAC name is N-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
PubChem CID16965703
Molecular FormulaC26H36N4O
Molecular Weight420.60 g/mol
Exact Mass420.29
IUPAC NameN-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
SMILESCCCCCCCCCCCn1c(CN(C)C(=O)c2ccncc2)nc2ccccc21
InChIInChI=1S/C26H36N4O/c1-3-4-5-6-7-8-9-10-13-20-30-24-15-12-11-14-23(24)28-25(30)21-29(2)26(31)22-16-18-27-19-17-22/h11-12,14-19H,3-10,13,20-21H2,1-2H3
InChIKeyXUPUNRJGCNFHDW-UHFFFAOYSA-N
XLogP6.23
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-heptylbenzimidazol-2-yl)methyl]-N-methylpyridine-4-carboxamide
CID 16965699
N-methyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965732
N-methyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965763
N-methyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 16966840
N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 16965544
N-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 16966831
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965865
N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965753
N-[[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965757
N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964202
N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965721
N-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965752

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide (CID 16965703) is N-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide is CCCCCCCCCCCn1c(CN(C)C(=O)c2ccncc2)nc2ccccc21.
What is the InChIKey of N-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is XUPUNRJGCNFHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O/c1-3-4-5-6-7-8-9-10-13-20-30-24-15-12-11-14-23(24)28-25(30)21-29(2)26(31)22-16-18-27-19-17-22/h11-12,14-19H,3-10,13,20-21H2,1-2H3.
What are the key properties of N-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide?
N-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 420.60 g/mol, XLogP of 6.23, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 16965703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).