1-(2-methoxyethyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-7-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide

C25H31N5O4 — CID 45181533

IUPAC1-(2-methoxyethyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-7-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide
SMILESCOCCn1cnc2cc(C(=O)N(C)CCC3CCCCO3)cc(NC(=O)c3cccnc3)c21
InChIInChI=1S/C25H31N5O4/c1-29(10-8-20-7-3-4-12-34-20)25(32)19-14-21-23(30(17-27-21)11-13-33-2)22(15-19)28-24(31)18-6-5-9-26-16-18/h5-6,9,14-17,20H,3-4,7-8,10-13H2,1-2H3,(H,28,31)
InChIKeyHINNKEHEYMAAOU-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.36
Rot. Bonds9

About 1-(2-methoxyethyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-7-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide

1-(2-methoxyethyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-7-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide (PubChem CID 45181533) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-7-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-7-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide
PubChem CID45181533
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC Name1-(2-methoxyethyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-7-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide
SMILESCOCCn1cnc2cc(C(=O)N(C)CCC3CCCCO3)cc(NC(=O)c3cccnc3)c21
InChIInChI=1S/C25H31N5O4/c1-29(10-8-20-7-3-4-12-34-20)25(32)19-14-21-23(30(17-27-21)11-13-33-2)22(15-19)28-24(31)18-6-5-9-26-16-18/h5-6,9,14-17,20H,3-4,7-8,10-13H2,1-2H3,(H,28,31)
InChIKeyHINNKEHEYMAAOU-UHFFFAOYSA-N
XLogP3.36
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide
CID 99972449
methyl 1-(oxan-2-yl)-4-(pyridine-3-carbonylamino)pyrazole-3-carboxylate
CID 154998706
7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(3-pyridin-3-ylpropyl)benzimidazole-5-carboxamide
CID 42482087
3-(2-methoxyethyl)-1-methyl-1-[2-(oxan-2-yl)ethyl]urea
CID 110426615
N-[2-[[(2S)-oxan-2-yl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide
CID 125145459
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922681
methyl 3-(oxan-2-ylmethyl)benzimidazole-5-carboxylate
CID 175810663
methyl 3-[[(2R)-oxolan-2-yl]methyl-(pyridine-3-carbonyl)amino]propanoate
CID 95480071
3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 124523163
2-(4-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 110619177
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-methyl-N-[2-(oxan-2-yl)ethyl]benzamide
CID 45188135
N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 97201362

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-7-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-7-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide (CID 45181533) is 1-(2-methoxyethyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-7-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-7-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-7-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide is COCCn1cnc2cc(C(=O)N(C)CCC3CCCCO3)cc(NC(=O)c3cccnc3)c21.
What is the InChIKey of 1-(2-methoxyethyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-7-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide?
The InChIKey is HINNKEHEYMAAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-29(10-8-20-7-3-4-12-34-20)25(32)19-14-21-23(30(17-27-21)11-13-33-2)22(15-19)28-24(31)18-6-5-9-26-16-18/h5-6,9,14-17,20H,3-4,7-8,10-13H2,1-2H3,(H,28,31).
What are the key properties of 1-(2-methoxyethyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-7-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide?
1-(2-methoxyethyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-7-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-7-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide is sourced from PubChem (CID 45181533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).