N-butyl-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide

C21H25N5O3 — CID 42405347

IUPACN-butyl-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide
SMILESCCCCNC(=O)c1cc(NC(=O)COC)cc2nc(-c3ccncc3)n(C)c12
InChIInChI=1S/C21H25N5O3/c1-4-5-8-23-21(28)16-11-15(24-18(27)13-29-3)12-17-19(16)26(2)20(25-17)14-6-9-22-10-7-14/h6-7,9-12H,4-5,8,13H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyJCEZJJJXGSRJBO-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.75
Rot. Bonds8

About N-butyl-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide

N-butyl-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide (PubChem CID 42405347) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-butyl-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide
PubChem CID42405347
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-butyl-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide
SMILESCCCCNC(=O)c1cc(NC(=O)COC)cc2nc(-c3ccncc3)n(C)c12
InChIInChI=1S/C21H25N5O3/c1-4-5-8-23-21(28)16-11-15(24-18(27)13-29-3)12-17-19(16)26(2)20(25-17)14-6-9-22-10-7-14/h6-7,9-12H,4-5,8,13H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyJCEZJJJXGSRJBO-UHFFFAOYSA-N
XLogP2.75
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide
CID 42164948
6-[(2-methoxyacetyl)amino]-N,3-dimethyl-2-pyridin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide
CID 26279270
2-(methoxymethyl)-3-methyl-6-[(2-phenylacetyl)amino]-N-(3-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide
CID 42277682
N-(3-ethoxypropyl)-5-[(2-methoxyacetyl)amino]-2-piperidin-1-ylbenzamide
CID 3313832
N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5149607
5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3930160
3-benzyl-N-(3-methoxypropyl)-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide
CID 42379624
3-ethyl-6-[(2-methoxyacetyl)amino]-2-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzimidazole-4-carboxamide
CID 45250475
N-butylpyridine-4-carboxamide
CID 5030535
2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide
CID 3535205
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)benzimidazole-4-carboxamide
CID 26276093
2-cyclobutyl-6-[(2-methoxyacetyl)amino]-N,3-dimethyl-N-(thiophen-3-ylmethyl)benzimidazole-4-carboxamide
CID 42170060

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide?
The IUPAC name of N-butyl-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide (CID 42405347) is N-butyl-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide.
What is the SMILES notation for N-butyl-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide?
The canonical SMILES for N-butyl-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide is CCCCNC(=O)c1cc(NC(=O)COC)cc2nc(-c3ccncc3)n(C)c12.
What is the InChIKey of N-butyl-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide?
The InChIKey is JCEZJJJXGSRJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-4-5-8-23-21(28)16-11-15(24-18(27)13-29-3)12-17-19(16)26(2)20(25-17)14-6-9-22-10-7-14/h6-7,9-12H,4-5,8,13H2,1-3H3,(H,23,28)(H,24,27).
What are the key properties of N-butyl-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide?
N-butyl-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide is sourced from PubChem (CID 42405347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).