4-[4-(dimethylamino)anilino]pyridine-2-carbonitrile

C14H14N4 — CID 62925124

IUPAC4-[4-(dimethylamino)anilino]pyridine-2-carbonitrile
SMILESCN(C)c1ccc(Nc2ccnc(C#N)c2)cc1
InChIInChI=1S/C14H14N4/c1-18(2)14-5-3-11(4-6-14)17-12-7-8-16-13(9-12)10-15/h3-9H,1-2H3,(H,16,17)
InChIKeyKLBMOAGCWCCLSL-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.76
Rot. Bonds3

About 4-[4-(dimethylamino)anilino]pyridine-2-carbonitrile

4-[4-(dimethylamino)anilino]pyridine-2-carbonitrile (PubChem CID 62925124) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[4-(dimethylamino)anilino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-(dimethylamino)anilino]pyridine-2-carbonitrile
PubChem CID62925124
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name4-[4-(dimethylamino)anilino]pyridine-2-carbonitrile
SMILESCN(C)c1ccc(Nc2ccnc(C#N)c2)cc1
InChIInChI=1S/C14H14N4/c1-18(2)14-5-3-11(4-6-14)17-12-7-8-16-13(9-12)10-15/h3-9H,1-2H3,(H,16,17)
InChIKeyKLBMOAGCWCCLSL-UHFFFAOYSA-N
XLogP2.76
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)anilino]pyridine-2-carbonitrile?
The IUPAC name of 4-[4-(dimethylamino)anilino]pyridine-2-carbonitrile (CID 62925124) is 4-[4-(dimethylamino)anilino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4-(dimethylamino)anilino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[4-(dimethylamino)anilino]pyridine-2-carbonitrile is CN(C)c1ccc(Nc2ccnc(C#N)c2)cc1.
What is the InChIKey of 4-[4-(dimethylamino)anilino]pyridine-2-carbonitrile?
The InChIKey is KLBMOAGCWCCLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-18(2)14-5-3-11(4-6-14)17-12-7-8-16-13(9-12)10-15/h3-9H,1-2H3,(H,16,17).
What are the key properties of 4-[4-(dimethylamino)anilino]pyridine-2-carbonitrile?
4-[4-(dimethylamino)anilino]pyridine-2-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)anilino]pyridine-2-carbonitrile is sourced from PubChem (CID 62925124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).