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

C18H14N4O — CID 938228

IUPAC2-amino-4-(3-methoxyphenyl)-6-pyridin-3-ylpyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(-c3cccnc3)nc(N)c2C#N)c1
InChIInChI=1S/C18H14N4O/c1-23-14-6-2-4-12(8-14)15-9-17(13-5-3-7-21-11-13)22-18(20)16(15)10-19/h2-9,11H,1H3,(H2,20,22)
InChIKeyFXLVPSJTDHPSJJ-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.27
Rot. Bonds3

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

2-amino-4-(3-methoxyphenyl)-6-pyridin-3-ylpyridine-3-carbonitrile (PubChem CID 938228) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-amino-4-(3-methoxyphenyl)-6-pyridin-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-methoxyphenyl)-6-pyridin-3-ylpyridine-3-carbonitrile
PubChem CID938228
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name2-amino-4-(3-methoxyphenyl)-6-pyridin-3-ylpyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(-c3cccnc3)nc(N)c2C#N)c1
InChIInChI=1S/C18H14N4O/c1-23-14-6-2-4-12(8-14)15-9-17(13-5-3-7-21-11-13)22-18(20)16(15)10-19/h2-9,11H,1H3,(H2,20,22)
InChIKeyFXLVPSJTDHPSJJ-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-methoxyphenyl)-6-pyridin-3-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-methoxyphenyl)-6-pyridin-3-ylpyridine-3-carbonitrile (CID 938228) is 2-amino-4-(3-methoxyphenyl)-6-pyridin-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-methoxyphenyl)-6-pyridin-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-methoxyphenyl)-6-pyridin-3-ylpyridine-3-carbonitrile is COc1cccc(-c2cc(-c3cccnc3)nc(N)c2C#N)c1.
What is the InChIKey of 2-amino-4-(3-methoxyphenyl)-6-pyridin-3-ylpyridine-3-carbonitrile?
The InChIKey is FXLVPSJTDHPSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-23-14-6-2-4-12(8-14)15-9-17(13-5-3-7-21-11-13)22-18(20)16(15)10-19/h2-9,11H,1H3,(H2,20,22).
What are the key properties of 2-amino-4-(3-methoxyphenyl)-6-pyridin-3-ylpyridine-3-carbonitrile?
2-amino-4-(3-methoxyphenyl)-6-pyridin-3-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-(3-methoxyphenyl)-6-pyridin-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 938228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).