4-(dimethylamino)-2-(2-methylanilino)pyridine-3-carbonitrile

C15H16N4 — CID 1487136

IUPAC4-(dimethylamino)-2-(2-methylanilino)pyridine-3-carbonitrile
SMILESCc1ccccc1Nc1nccc(N(C)C)c1C#N
InChIInChI=1S/C15H16N4/c1-11-6-4-5-7-13(11)18-15-12(10-16)14(19(2)3)8-9-17-15/h4-9H,1-3H3,(H,17,18)
InChIKeyMMBNDNZDACNPGJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.07
Rot. Bonds3

About 4-(dimethylamino)-2-(2-methylanilino)pyridine-3-carbonitrile

4-(dimethylamino)-2-(2-methylanilino)pyridine-3-carbonitrile (PubChem CID 1487136) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(dimethylamino)-2-(2-methylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-2-(2-methylanilino)pyridine-3-carbonitrile
PubChem CID1487136
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name4-(dimethylamino)-2-(2-methylanilino)pyridine-3-carbonitrile
SMILESCc1ccccc1Nc1nccc(N(C)C)c1C#N
InChIInChI=1S/C15H16N4/c1-11-6-4-5-7-13(11)18-15-12(10-16)14(19(2)3)8-9-17-15/h4-9H,1-3H3,(H,17,18)
InChIKeyMMBNDNZDACNPGJ-UHFFFAOYSA-N
XLogP3.07
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-(2-methylanilino)pyridine-3-carbonitrile?
The IUPAC name of 4-(dimethylamino)-2-(2-methylanilino)pyridine-3-carbonitrile (CID 1487136) is 4-(dimethylamino)-2-(2-methylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-2-(2-methylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-2-(2-methylanilino)pyridine-3-carbonitrile is Cc1ccccc1Nc1nccc(N(C)C)c1C#N.
What is the InChIKey of 4-(dimethylamino)-2-(2-methylanilino)pyridine-3-carbonitrile?
The InChIKey is MMBNDNZDACNPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11-6-4-5-7-13(11)18-15-12(10-16)14(19(2)3)8-9-17-15/h4-9H,1-3H3,(H,17,18).
What are the key properties of 4-(dimethylamino)-2-(2-methylanilino)pyridine-3-carbonitrile?
4-(dimethylamino)-2-(2-methylanilino)pyridine-3-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-(2-methylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 1487136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).