4-(dimethylamino)-2-oxo-1-phenylpyridine-3-carbonitrile

C14H13N3O — CID 13182728

IUPAC4-(dimethylamino)-2-oxo-1-phenylpyridine-3-carbonitrile
SMILESCN(C)c1ccn(-c2ccccc2)c(=O)c1C#N
InChIInChI=1S/C14H13N3O/c1-16(2)13-8-9-17(14(18)12(13)10-15)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyNVWSVCHFZFMMPX-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.78
Rot. Bonds2

About 4-(dimethylamino)-2-oxo-1-phenylpyridine-3-carbonitrile

4-(dimethylamino)-2-oxo-1-phenylpyridine-3-carbonitrile (PubChem CID 13182728) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(dimethylamino)-2-oxo-1-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-2-oxo-1-phenylpyridine-3-carbonitrile
PubChem CID13182728
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-(dimethylamino)-2-oxo-1-phenylpyridine-3-carbonitrile
SMILESCN(C)c1ccn(-c2ccccc2)c(=O)c1C#N
InChIInChI=1S/C14H13N3O/c1-16(2)13-8-9-17(14(18)12(13)10-15)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyNVWSVCHFZFMMPX-UHFFFAOYSA-N
XLogP1.78
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-oxo-1-phenylpyridine-3-carbonitrile?
The IUPAC name of 4-(dimethylamino)-2-oxo-1-phenylpyridine-3-carbonitrile (CID 13182728) is 4-(dimethylamino)-2-oxo-1-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-2-oxo-1-phenylpyridine-3-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-2-oxo-1-phenylpyridine-3-carbonitrile is CN(C)c1ccn(-c2ccccc2)c(=O)c1C#N.
What is the InChIKey of 4-(dimethylamino)-2-oxo-1-phenylpyridine-3-carbonitrile?
The InChIKey is NVWSVCHFZFMMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-16(2)13-8-9-17(14(18)12(13)10-15)11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of 4-(dimethylamino)-2-oxo-1-phenylpyridine-3-carbonitrile?
4-(dimethylamino)-2-oxo-1-phenylpyridine-3-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-oxo-1-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 13182728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).