4-(4-propylanilino)pyridine-2-carbonitrile

C15H15N3 — CID 62924957

IUPAC4-(4-propylanilino)pyridine-2-carbonitrile
SMILESCCCc1ccc(Nc2ccnc(C#N)c2)cc1
InChIInChI=1S/C15H15N3/c1-2-3-12-4-6-13(7-5-12)18-14-8-9-17-15(10-14)11-16/h4-10H,2-3H2,1H3,(H,17,18)
InChIKeySHQSVOGKAIEDLD-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.65
Rot. Bonds4

About 4-(4-propylanilino)pyridine-2-carbonitrile

4-(4-propylanilino)pyridine-2-carbonitrile (PubChem CID 62924957) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-(4-propylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-propylanilino)pyridine-2-carbonitrile
PubChem CID62924957
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name4-(4-propylanilino)pyridine-2-carbonitrile
SMILESCCCc1ccc(Nc2ccnc(C#N)c2)cc1
InChIInChI=1S/C15H15N3/c1-2-3-12-4-6-13(7-5-12)18-14-8-9-17-15(10-14)11-16/h4-10H,2-3H2,1H3,(H,17,18)
InChIKeySHQSVOGKAIEDLD-UHFFFAOYSA-N
XLogP3.65
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-propylanilino)pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 62926534
4-(3-ethylanilino)pyridine-2-carbonitrile
CID 62925653
4-[4-(dimethylamino)anilino]pyridine-2-carbonitrile
CID 62925124
4-[(4-butylanilino)methyl]pyridine-2-carbonitrile
CID 63880716
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
2-(4-butylanilino)pyrimidine-4-carbonitrile
CID 107543659
4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile
CID 62926078
4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile
CID 62927039
4-(thiophen-3-ylamino)pyridine-2-carbonitrile
CID 66353511
3-bromo-5-(4-propylanilino)benzonitrile
CID 102815352
4-[(1-methylpyrazol-4-yl)amino]pyridine-2-carbonitrile
CID 62926735
4-[[2-(ethylamino)-4-pyridinyl]amino]benzonitrile
CID 113367461

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylanilino)pyridine-2-carbonitrile?
The IUPAC name of 4-(4-propylanilino)pyridine-2-carbonitrile (CID 62924957) is 4-(4-propylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-propylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-propylanilino)pyridine-2-carbonitrile is CCCc1ccc(Nc2ccnc(C#N)c2)cc1.
What is the InChIKey of 4-(4-propylanilino)pyridine-2-carbonitrile?
The InChIKey is SHQSVOGKAIEDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-2-3-12-4-6-13(7-5-12)18-14-8-9-17-15(10-14)11-16/h4-10H,2-3H2,1H3,(H,17,18).
What are the key properties of 4-(4-propylanilino)pyridine-2-carbonitrile?
4-(4-propylanilino)pyridine-2-carbonitrile has a molecular weight of 237.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 62924957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).