4-(dimethylamino)-2-phenoxypyridine-3-carbonitrile

C14H13N3O — CID 1475658

IUPAC4-(dimethylamino)-2-phenoxypyridine-3-carbonitrile
SMILESCN(C)c1ccnc(Oc2ccccc2)c1C#N
InChIInChI=1S/C14H13N3O/c1-17(2)13-8-9-16-14(12(13)10-15)18-11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyLBCOHQRBXSMFHT-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.81
Rot. Bonds3

About 4-(dimethylamino)-2-phenoxypyridine-3-carbonitrile

4-(dimethylamino)-2-phenoxypyridine-3-carbonitrile (PubChem CID 1475658) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(dimethylamino)-2-phenoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-2-phenoxypyridine-3-carbonitrile
PubChem CID1475658
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-(dimethylamino)-2-phenoxypyridine-3-carbonitrile
SMILESCN(C)c1ccnc(Oc2ccccc2)c1C#N
InChIInChI=1S/C14H13N3O/c1-17(2)13-8-9-16-14(12(13)10-15)18-11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyLBCOHQRBXSMFHT-UHFFFAOYSA-N
XLogP2.81
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-phenoxypyridine-3-carbonitrile?
The IUPAC name of 4-(dimethylamino)-2-phenoxypyridine-3-carbonitrile (CID 1475658) is 4-(dimethylamino)-2-phenoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-2-phenoxypyridine-3-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-2-phenoxypyridine-3-carbonitrile is CN(C)c1ccnc(Oc2ccccc2)c1C#N.
What is the InChIKey of 4-(dimethylamino)-2-phenoxypyridine-3-carbonitrile?
The InChIKey is LBCOHQRBXSMFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-17(2)13-8-9-16-14(12(13)10-15)18-11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of 4-(dimethylamino)-2-phenoxypyridine-3-carbonitrile?
4-(dimethylamino)-2-phenoxypyridine-3-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-phenoxypyridine-3-carbonitrile is sourced from PubChem (CID 1475658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).