2-(N-butylanilino)pyridine-3-carbonitrile

C16H17N3 — CID 64586169

IUPAC2-(N-butylanilino)pyridine-3-carbonitrile
SMILESCCCCN(c1ccccc1)c1ncccc1C#N
InChIInChI=1S/C16H17N3/c1-2-3-12-19(15-9-5-4-6-10-15)16-14(13-17)8-7-11-18-16/h4-11H,2-3,12H2,1H3
InChIKeyAIWQOYNDOKDSHU-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.89
Rot. Bonds5

About 2-(N-butylanilino)pyridine-3-carbonitrile

2-(N-butylanilino)pyridine-3-carbonitrile (PubChem CID 64586169) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(N-butylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(N-butylanilino)pyridine-3-carbonitrile
PubChem CID64586169
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-(N-butylanilino)pyridine-3-carbonitrile
SMILESCCCCN(c1ccccc1)c1ncccc1C#N
InChIInChI=1S/C16H17N3/c1-2-3-12-19(15-9-5-4-6-10-15)16-14(13-17)8-7-11-18-16/h4-11H,2-3,12H2,1H3
InChIKeyAIWQOYNDOKDSHU-UHFFFAOYSA-N
XLogP3.89
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(N-butylanilino)pyridine-3-carbonitrile?
The IUPAC name of 2-(N-butylanilino)pyridine-3-carbonitrile (CID 64586169) is 2-(N-butylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(N-butylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(N-butylanilino)pyridine-3-carbonitrile is CCCCN(c1ccccc1)c1ncccc1C#N.
What is the InChIKey of 2-(N-butylanilino)pyridine-3-carbonitrile?
The InChIKey is AIWQOYNDOKDSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-3-12-19(15-9-5-4-6-10-15)16-14(13-17)8-7-11-18-16/h4-11H,2-3,12H2,1H3.
What are the key properties of 2-(N-butylanilino)pyridine-3-carbonitrile?
2-(N-butylanilino)pyridine-3-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-butylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 64586169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).