2-amino-4-(5-methylfuran-2-yl)-6-phenylpyridine-3-carbonitrile

C17H13N3O — CID 3355257

IUPAC2-amino-4-(5-methylfuran-2-yl)-6-phenylpyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccccc3)nc(N)c2C#N)o1
InChIInChI=1S/C17H13N3O/c1-11-7-8-16(21-11)13-9-15(12-5-3-2-4-6-12)20-17(19)14(13)10-18/h2-9H,1H3,(H2,19,20)
InChIKeyZCILYLXLNUWDKO-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.77
Rot. Bonds2

About 2-amino-4-(5-methylfuran-2-yl)-6-phenylpyridine-3-carbonitrile

2-amino-4-(5-methylfuran-2-yl)-6-phenylpyridine-3-carbonitrile (PubChem CID 3355257) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-amino-4-(5-methylfuran-2-yl)-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-methylfuran-2-yl)-6-phenylpyridine-3-carbonitrile
PubChem CID3355257
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name2-amino-4-(5-methylfuran-2-yl)-6-phenylpyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccccc3)nc(N)c2C#N)o1
InChIInChI=1S/C17H13N3O/c1-11-7-8-16(21-11)13-9-15(12-5-3-2-4-6-12)20-17(19)14(13)10-18/h2-9H,1H3,(H2,19,20)
InChIKeyZCILYLXLNUWDKO-UHFFFAOYSA-N
XLogP3.77
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-methylfuran-2-yl)-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-methylfuran-2-yl)-6-phenylpyridine-3-carbonitrile (CID 3355257) is 2-amino-4-(5-methylfuran-2-yl)-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-methylfuran-2-yl)-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-methylfuran-2-yl)-6-phenylpyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3ccccc3)nc(N)c2C#N)o1.
What is the InChIKey of 2-amino-4-(5-methylfuran-2-yl)-6-phenylpyridine-3-carbonitrile?
The InChIKey is ZCILYLXLNUWDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-11-7-8-16(21-11)13-9-15(12-5-3-2-4-6-12)20-17(19)14(13)10-18/h2-9H,1H3,(H2,19,20).
What are the key properties of 2-amino-4-(5-methylfuran-2-yl)-6-phenylpyridine-3-carbonitrile?
2-amino-4-(5-methylfuran-2-yl)-6-phenylpyridine-3-carbonitrile has a molecular weight of 275.31 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-methylfuran-2-yl)-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 3355257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).