2-[4-[2-(3-ethynylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-oxoacetamide

C23H17N5O3 — CID 141078945

IUPAC2-[4-[2-(3-ethynylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-oxoacetamide
SMILESC#Cc1cccc(Nc2nc3cc(Oc4ccnc(C(=O)C(N)=O)c4)ccc3n2C)c1
InChIInChI=1S/C23H17N5O3/c1-3-14-5-4-6-15(11-14)26-23-27-18-12-16(7-8-20(18)28(23)2)31-17-9-10-25-19(13-17)21(29)22(24)30/h1,4-13H,2H3,(H2,24,30)(H,26,27)
InChIKeyCSPJILGOPNIDEP-UHFFFAOYSA-N
MW411.42 g/mol
LogP3.15
Rot. Bonds6

About 2-[4-[2-(3-ethynylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-oxoacetamide

2-[4-[2-(3-ethynylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-oxoacetamide (PubChem CID 141078945) has the molecular formula C23H17N5O3 and a molecular weight of 411.42 g/mol. Its IUPAC name is 2-[4-[2-(3-ethynylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-[2-(3-ethynylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-oxoacetamide
PubChem CID141078945
Molecular FormulaC23H17N5O3
Molecular Weight411.42 g/mol
Exact Mass411.13
IUPAC Name2-[4-[2-(3-ethynylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-oxoacetamide
SMILESC#Cc1cccc(Nc2nc3cc(Oc4ccnc(C(=O)C(N)=O)c4)ccc3n2C)c1
InChIInChI=1S/C23H17N5O3/c1-3-14-5-4-6-15(11-14)26-23-27-18-12-16(7-8-20(18)28(23)2)31-17-9-10-25-19(13-17)21(29)22(24)30/h1,4-13H,2H3,(H2,24,30)(H,26,27)
InChIKeyCSPJILGOPNIDEP-UHFFFAOYSA-N
XLogP3.15
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-[2-(3-ethynylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
CID 159824014
4-[2-(3-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
CID 21037188
4-[1-methyl-2-(3-methyl-4-propan-2-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
CID 161025794
4-[2-[3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22040449
N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311
N-methyl-4-[1-methyl-2-(3-phenylmethoxyanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040628
4-[2-(3-cycloheptylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22041074
N-methyl-4-[1-methyl-2-[3-(trifluoromethylsulfanyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
CID 158740821
tert-butyl 4-[2-(4-fluoroanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxylate
CID 21037368
4-[2-[3-(3-chloro-4-pyridinyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22041059
4-[2-[4-(dimethylamino)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 21037270
4-[1-methyl-2-(3-propan-2-yloxyanilino)benzimidazol-5-yl]oxypyridine-2-carbaldehyde
CID 91490598

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-ethynylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-oxoacetamide?
The IUPAC name of 2-[4-[2-(3-ethynylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-oxoacetamide (CID 141078945) is 2-[4-[2-(3-ethynylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-oxoacetamide.
What is the SMILES notation for 2-[4-[2-(3-ethynylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-oxoacetamide?
The canonical SMILES for 2-[4-[2-(3-ethynylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-oxoacetamide is C#Cc1cccc(Nc2nc3cc(Oc4ccnc(C(=O)C(N)=O)c4)ccc3n2C)c1.
What is the InChIKey of 2-[4-[2-(3-ethynylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-oxoacetamide?
The InChIKey is CSPJILGOPNIDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O3/c1-3-14-5-4-6-15(11-14)26-23-27-18-12-16(7-8-20(18)28(23)2)31-17-9-10-25-19(13-17)21(29)22(24)30/h1,4-13H,2H3,(H2,24,30)(H,26,27).
What are the key properties of 2-[4-[2-(3-ethynylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-oxoacetamide?
2-[4-[2-(3-ethynylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-oxoacetamide has a molecular weight of 411.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-ethynylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-oxoacetamide is sourced from PubChem (CID 141078945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).