2-amino-6-(1H-benzimidazol-2-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile

C20H15N5O — CID 73349311

IUPAC2-amino-6-(1H-benzimidazol-2-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N)c2C#N)c1
InChIInChI=1S/C20H15N5O/c1-26-13-6-4-5-12(9-13)14-10-18(23-19(22)15(14)11-21)20-24-16-7-2-3-8-17(16)25-20/h2-10H,1H3,(H2,22,23)(H,24,25)
InChIKeyWZWQGHBCJARUQI-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.75
Rot. Bonds3

About 2-amino-6-(1H-benzimidazol-2-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile

2-amino-6-(1H-benzimidazol-2-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 73349311) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-amino-6-(1H-benzimidazol-2-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(1H-benzimidazol-2-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID73349311
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name2-amino-6-(1H-benzimidazol-2-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N)c2C#N)c1
InChIInChI=1S/C20H15N5O/c1-26-13-6-4-5-12(9-13)14-10-18(23-19(22)15(14)11-21)20-24-16-7-2-3-8-17(16)25-20/h2-10H,1H3,(H2,22,23)(H,24,25)
InChIKeyWZWQGHBCJARUQI-UHFFFAOYSA-N
XLogP3.75
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1H-benzimidazol-2-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(1H-benzimidazol-2-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile (CID 73349311) is 2-amino-6-(1H-benzimidazol-2-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(1H-benzimidazol-2-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(1H-benzimidazol-2-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile is COc1cccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N)c2C#N)c1.
What is the InChIKey of 2-amino-6-(1H-benzimidazol-2-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is WZWQGHBCJARUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c1-26-13-6-4-5-12(9-13)14-10-18(23-19(22)15(14)11-21)20-24-16-7-2-3-8-17(16)25-20/h2-10H,1H3,(H2,22,23)(H,24,25).
What are the key properties of 2-amino-6-(1H-benzimidazol-2-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(1H-benzimidazol-2-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 341.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1H-benzimidazol-2-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 73349311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).