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

C20H15N5O — CID 73347759

IUPAC2-amino-6-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N)c2C#N)cc1
InChIInChI=1S/C20H15N5O/c1-26-13-8-6-12(7-9-13)14-10-18(23-19(22)15(14)11-21)20-24-16-4-2-3-5-17(16)25-20/h2-10H,1H3,(H2,22,23)(H,24,25)
InChIKeyNOEHPMVJKIOARS-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.75
Rot. Bonds3

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

2-amino-6-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 73347759) 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-(4-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID73347759
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name2-amino-6-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N)c2C#N)cc1
InChIInChI=1S/C20H15N5O/c1-26-13-8-6-12(7-9-13)14-10-18(23-19(22)15(14)11-21)20-24-16-4-2-3-5-17(16)25-20/h2-10H,1H3,(H2,22,23)(H,24,25)
InChIKeyNOEHPMVJKIOARS-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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Related Compounds

2-amino-6-(1H-benzimidazol-2-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 73349311
2-amino-6-(1H-benzimidazol-2-yl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 73353825
2-amino-6-(1H-benzimidazol-2-yl)-4-(3-chlorophenyl)pyridine-3-carbonitrile
CID 73346261
2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636662
2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 5259045
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909
2-amino-4-(3-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231001
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
2-amino-4-(4-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 793424
2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3554219
2-amino-4-(3-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3369926

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile (CID 73347759) is 2-amino-6-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-6-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is NOEHPMVJKIOARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c1-26-13-8-6-12(7-9-13)14-10-18(23-19(22)15(14)11-21)20-24-16-4-2-3-5-17(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-(4-methoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(1H-benzimidazol-2-yl)-4-(4-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-(4-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 73347759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).