2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile

C18H14N4O — CID 4636662

IUPAC2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccncc3)nc(N)c2C#N)cc1
InChIInChI=1S/C18H14N4O/c1-23-14-4-2-12(3-5-14)15-10-17(13-6-8-21-9-7-13)22-18(20)16(15)11-19/h2-10H,1H3,(H2,20,22)
InChIKeyBJCGJAWRRRHKIN-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.27
Rot. Bonds3

About 2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile

2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile (PubChem CID 4636662) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
PubChem CID4636662
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccncc3)nc(N)c2C#N)cc1
InChIInChI=1S/C18H14N4O/c1-23-14-4-2-12(3-5-14)15-10-17(13-6-8-21-9-7-13)22-18(20)16(15)11-19/h2-10H,1H3,(H2,20,22)
InChIKeyBJCGJAWRRRHKIN-UHFFFAOYSA-N
XLogP3.27
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(4-ethoxyphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5153880
2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 5259045
2-amino-4-(4-fluorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636653
2-amino-4-(4-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 793424
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563
2-amino-6-(4-methoxyphenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3375509
2-amino-6-(4-methoxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile
CID 3371344
2-amino-4-(furan-3-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 10469515
2-amino-4-(3-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3369926
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-amino-6-(2,3-dihydro-1H-indol-5-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 70125868

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile (CID 4636662) is 2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile is COc1ccc(-c2cc(-c3ccncc3)nc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile?
The InChIKey is BJCGJAWRRRHKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-23-14-4-2-12(3-5-14)15-10-17(13-6-8-21-9-7-13)22-18(20)16(15)11-19/h2-10H,1H3,(H2,20,22).
What are the key properties of 2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile?
2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile has a molecular weight of 302.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 4636662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).