4-[(4-butylanilino)methyl]pyridine-2-carbonitrile

C17H19N3 — CID 63880716

IUPAC4-[(4-butylanilino)methyl]pyridine-2-carbonitrile
SMILESCCCCc1ccc(NCc2ccnc(C#N)c2)cc1
InChIInChI=1S/C17H19N3/c1-2-3-4-14-5-7-16(8-6-14)20-13-15-9-10-19-17(11-15)12-18/h5-11,20H,2-4,13H2,1H3
InChIKeyZNJYHJNMVVDXAY-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.91
Rot. Bonds6

About 4-[(4-butylanilino)methyl]pyridine-2-carbonitrile

4-[(4-butylanilino)methyl]pyridine-2-carbonitrile (PubChem CID 63880716) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(4-butylanilino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(4-butylanilino)methyl]pyridine-2-carbonitrile
PubChem CID63880716
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name4-[(4-butylanilino)methyl]pyridine-2-carbonitrile
SMILESCCCCc1ccc(NCc2ccnc(C#N)c2)cc1
InChIInChI=1S/C17H19N3/c1-2-3-4-14-5-7-16(8-6-14)20-13-15-9-10-19-17(11-15)12-18/h5-11,20H,2-4,13H2,1H3
InChIKeyZNJYHJNMVVDXAY-UHFFFAOYSA-N
XLogP3.91
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylanilino)methyl]pyridine-2-carbonitrile
CID 63882858
4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
CID 63881092
4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile
CID 63887670
4-[(4-methylsulfanylanilino)methyl]pyridine-2-carbonitrile
CID 63888074
4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile
CID 63881509
4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile
CID 103829289
3-[(4-butylanilino)methyl]pyridine-2-carbonitrile
CID 62893497
4-(4-propylanilino)pyridine-2-carbonitrile
CID 62924957
2-(4-butylanilino)pyrimidine-4-carbonitrile
CID 107543659
4-[(3-bromo-5-methylanilino)methyl]pyridine-2-carbonitrile
CID 104937835
4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile
CID 66352811
4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile
CID 103826035

Frequently Asked Questions

What is the IUPAC name of 4-[(4-butylanilino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(4-butylanilino)methyl]pyridine-2-carbonitrile (CID 63880716) is 4-[(4-butylanilino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(4-butylanilino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(4-butylanilino)methyl]pyridine-2-carbonitrile is CCCCc1ccc(NCc2ccnc(C#N)c2)cc1.
What is the InChIKey of 4-[(4-butylanilino)methyl]pyridine-2-carbonitrile?
The InChIKey is ZNJYHJNMVVDXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-3-4-14-5-7-16(8-6-14)20-13-15-9-10-19-17(11-15)12-18/h5-11,20H,2-4,13H2,1H3.
What are the key properties of 4-[(4-butylanilino)methyl]pyridine-2-carbonitrile?
4-[(4-butylanilino)methyl]pyridine-2-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-butylanilino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63880716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).