2-amino-6-methoxy-4-phenylpyridine-3,5-dicarbonitrile

C14H10N4O — CID 910533

IUPAC2-amino-6-methoxy-4-phenylpyridine-3,5-dicarbonitrile
SMILESCOc1nc(N)c(C#N)c(-c2ccccc2)c1C#N
InChIInChI=1S/C14H10N4O/c1-19-14-11(8-16)12(9-5-3-2-4-6-9)10(7-15)13(17)18-14/h2-6H,1H3,(H2,17,18)
InChIKeyBAFCFUMDNJOFHH-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.08
Rot. Bonds2

About 2-amino-6-methoxy-4-phenylpyridine-3,5-dicarbonitrile

2-amino-6-methoxy-4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 910533) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-amino-6-methoxy-4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-methoxy-4-phenylpyridine-3,5-dicarbonitrile
PubChem CID910533
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name2-amino-6-methoxy-4-phenylpyridine-3,5-dicarbonitrile
SMILESCOc1nc(N)c(C#N)c(-c2ccccc2)c1C#N
InChIInChI=1S/C14H10N4O/c1-19-14-11(8-16)12(9-5-3-2-4-6-9)10(7-15)13(17)18-14/h2-6H,1H3,(H2,17,18)
InChIKeyBAFCFUMDNJOFHH-UHFFFAOYSA-N
XLogP2.08
TPSA95.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-methoxy-4-phenylpyridine-3,5-dicarbonitrile (CID 910533) is 2-amino-6-methoxy-4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-methoxy-4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-methoxy-4-phenylpyridine-3,5-dicarbonitrile is COc1nc(N)c(C#N)c(-c2ccccc2)c1C#N.
What is the InChIKey of 2-amino-6-methoxy-4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is BAFCFUMDNJOFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c1-19-14-11(8-16)12(9-5-3-2-4-6-9)10(7-15)13(17)18-14/h2-6H,1H3,(H2,17,18).
What are the key properties of 2-amino-6-methoxy-4-phenylpyridine-3,5-dicarbonitrile?
2-amino-6-methoxy-4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 250.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxy-4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 910533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).