4-[2-(cycloheptylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide

C23H29N5O2 — CID 22041264

IUPAC4-[2-(cycloheptylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(NCC2CCCCCC2)n3C)ccn1
InChIInChI=1S/C23H29N5O2/c1-24-22(29)20-14-18(11-12-25-20)30-17-9-10-21-19(13-17)27-23(28(21)2)26-15-16-7-5-3-4-6-8-16/h9-14,16H,3-8,15H2,1-2H3,(H,24,29)(H,26,27)
InChIKeyOMAOXOQYXTXASK-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.50
Rot. Bonds6

About 4-[2-(cycloheptylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide

4-[2-(cycloheptylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 22041264) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 4-[2-(cycloheptylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(cycloheptylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID22041264
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name4-[2-(cycloheptylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(NCC2CCCCCC2)n3C)ccn1
InChIInChI=1S/C23H29N5O2/c1-24-22(29)20-14-18(11-12-25-20)30-17-9-10-21-19(13-17)27-23(28(21)2)26-15-16-7-5-3-4-6-8-16/h9-14,16H,3-8,15H2,1-2H3,(H,24,29)(H,26,27)
InChIKeyOMAOXOQYXTXASK-UHFFFAOYSA-N
XLogP4.50
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[1-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040571
4-[2-(3-cycloheptylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22041074
N-methyl-4-[1-methyl-2-(2-morpholin-4-ylethylamino)benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041180
N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311
4-[[2-(cyclohexylmethylamino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 71019338
4-[2-(3-imidazol-1-ylpropylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22040660
N-methyl-4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)oxypyridine-2-carboxamide;molecular hydrogen
CID 164540019
N-methyl-4-[1-methyl-2-[4-(propan-2-ylcarbamoyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040471
4-[2-[4-(dimethylamino)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 21037270
N-methyl-4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041171
4-[2-(2,4-dibromoanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22041058
N-methyl-4-[1-methyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040418

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cycloheptylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(cycloheptylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide (CID 22041264) is 4-[2-(cycloheptylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(cycloheptylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(cycloheptylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)nc(NCC2CCCCCC2)n3C)ccn1.
What is the InChIKey of 4-[2-(cycloheptylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is OMAOXOQYXTXASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-24-22(29)20-14-18(11-12-25-20)30-17-9-10-21-19(13-17)27-23(28(21)2)26-15-16-7-5-3-4-6-8-16/h9-14,16H,3-8,15H2,1-2H3,(H,24,29)(H,26,27).
What are the key properties of 4-[2-(cycloheptylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
4-[2-(cycloheptylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cycloheptylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 22041264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).