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

C16H17N3 — CID 115487727

IUPAC5-(N-butylanilino)pyridine-2-carbonitrile
SMILESCCCCN(c1ccccc1)c1ccc(C#N)nc1
InChIInChI=1S/C16H17N3/c1-2-3-11-19(15-7-5-4-6-8-15)16-10-9-14(12-17)18-13-16/h4-10,13H,2-3,11H2,1H3
InChIKeyAYAOKAVPCSIGKM-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.89
Rot. Bonds5

About 5-(N-butylanilino)pyridine-2-carbonitrile

5-(N-butylanilino)pyridine-2-carbonitrile (PubChem CID 115487727) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(N-butylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(N-butylanilino)pyridine-2-carbonitrile
PubChem CID115487727
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name5-(N-butylanilino)pyridine-2-carbonitrile
SMILESCCCCN(c1ccccc1)c1ccc(C#N)nc1
InChIInChI=1S/C16H17N3/c1-2-3-11-19(15-7-5-4-6-8-15)16-10-9-14(12-17)18-13-16/h4-10,13H,2-3,11H2,1H3
InChIKeyAYAOKAVPCSIGKM-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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Related Compounds

N-butyl-N-phenylaniline;hydrobromide
CID 70419495
1-[5-(N-butylanilino)-2-pyridinyl]propan-1-one
CID 115939016
6-[(1R)-1-aminopropyl]-N-butyl-N-phenylpyridin-3-amine
CID 103937433
2-(N-butylanilino)pyridine-3-carbonitrile
CID 64586169
butane;N-octyl-N-phenylaniline
CID 175431375
4-N-butyl-1-N-ethyl-4-N-phenylbenzene-1,4-diamine
CID 67184223
N-butyl-3-chloro-N-phenylaniline
CID 23348476
4-methoxy-N-pentyl-N-phenylaniline
CID 174868120
3-(N-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]anilino)propanenitrile
CID 103938313
4-[(1S)-1-aminoethyl]-N-butyl-N-phenylaniline
CID 78996712
1-N,4-N-dibutyl-4-N-phenylbenzene-1,4-diamine
CID 57159052
5-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 115487439

Frequently Asked Questions

What is the IUPAC name of 5-(N-butylanilino)pyridine-2-carbonitrile?
The IUPAC name of 5-(N-butylanilino)pyridine-2-carbonitrile (CID 115487727) is 5-(N-butylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(N-butylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(N-butylanilino)pyridine-2-carbonitrile is CCCCN(c1ccccc1)c1ccc(C#N)nc1.
What is the InChIKey of 5-(N-butylanilino)pyridine-2-carbonitrile?
The InChIKey is AYAOKAVPCSIGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-3-11-19(15-7-5-4-6-8-15)16-10-9-14(12-17)18-13-16/h4-10,13H,2-3,11H2,1H3.
What are the key properties of 5-(N-butylanilino)pyridine-2-carbonitrile?
5-(N-butylanilino)pyridine-2-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 5-(N-butylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 115487727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).