N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide

C21H19N5O — CID 49045941

IUPACN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(CC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)cn1
InChIInChI=1S/C21H19N5O/c1-15-6-7-16(11-22-15)10-21(27)24-13-17-8-9-20(23-12-17)26-14-25-18-4-2-3-5-19(18)26/h2-9,11-12,14H,10,13H2,1H3,(H,24,27)
InChIKeyPXXLOBVIBZJLOL-UHFFFAOYSA-N
MW357.42 g/mol
LogP2.98
Rot. Bonds5

About N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide

N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide (PubChem CID 49045941) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide
PubChem CID49045941
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(CC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)cn1
InChIInChI=1S/C21H19N5O/c1-15-6-7-16(11-22-15)10-21(27)24-13-17-8-9-20(23-12-17)26-14-25-18-4-2-3-5-19(18)26/h2-9,11-12,14H,10,13H2,1H3,(H,24,27)
InChIKeyPXXLOBVIBZJLOL-UHFFFAOYSA-N
XLogP2.98
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 49046400
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-[benzyl(methyl)amino]acetamide
CID 49045784
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide
CID 49046518
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-4-ethoxybutanamide
CID 49046049
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1H-indazole-3-carboxamide
CID 49046801
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-methylpropoxy)propanamide
CID 49046064
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 49046358
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 49046752
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 49046652
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 49046224
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 49046325
1-(aminomethyl)-N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-hydroxycyclobutane-1-carboxamide
CID 167979437

Frequently Asked Questions

What is the IUPAC name of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide?
The IUPAC name of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide (CID 49045941) is N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide?
The canonical SMILES for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide is Cc1ccc(CC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)cn1.
What is the InChIKey of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide?
The InChIKey is PXXLOBVIBZJLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-15-6-7-16(11-22-15)10-21(27)24-13-17-8-9-20(23-12-17)26-14-25-18-4-2-3-5-19(18)26/h2-9,11-12,14H,10,13H2,1H3,(H,24,27).
What are the key properties of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide?
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide has a molecular weight of 357.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 49045941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).