5-[1-amino-3-(4-chlorophenyl)butan-2-yl]pyridine-3-carbonitrile;hydrochloride

C16H17Cl2N3 — CID 69145462

IUPAC5-[1-amino-3-(4-chlorophenyl)butan-2-yl]pyridine-3-carbonitrile;hydrochloride
SMILESCC(c1ccc(Cl)cc1)C(CN)c1cncc(C#N)c1.Cl
InChIInChI=1S/C16H16ClN3.ClH/c1-11(13-2-4-15(17)5-3-13)16(8-19)14-6-12(7-18)9-20-10-14;/h2-6,9-11,16H,8,19H2,1H3;1H
InChIKeyFVJCSLBCYDIHCE-UHFFFAOYSA-N
MW322.24 g/mol
LogP3.87
Rot. Bonds4

About 5-[1-amino-3-(4-chlorophenyl)butan-2-yl]pyridine-3-carbonitrile;hydrochloride

5-[1-amino-3-(4-chlorophenyl)butan-2-yl]pyridine-3-carbonitrile;hydrochloride (PubChem CID 69145462) has the molecular formula C16H17Cl2N3 and a molecular weight of 322.24 g/mol. Its IUPAC name is 5-[1-amino-3-(4-chlorophenyl)butan-2-yl]pyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name5-[1-amino-3-(4-chlorophenyl)butan-2-yl]pyridine-3-carbonitrile;hydrochloride
PubChem CID69145462
Molecular FormulaC16H17Cl2N3
Molecular Weight322.24 g/mol
Exact Mass321.08
IUPAC Name5-[1-amino-3-(4-chlorophenyl)butan-2-yl]pyridine-3-carbonitrile;hydrochloride
SMILESCC(c1ccc(Cl)cc1)C(CN)c1cncc(C#N)c1.Cl
InChIInChI=1S/C16H16ClN3.ClH/c1-11(13-2-4-15(17)5-3-13)16(8-19)14-6-12(7-18)9-20-10-14;/h2-6,9-11,16H,8,19H2,1H3;1H
InChIKeyFVJCSLBCYDIHCE-UHFFFAOYSA-N
XLogP3.87
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-cyano-3-methylpentan-2-yl)pyridine-3-carbonitrile
CID 155247391
5-[(1S)-1-aminopropyl]pyridine-3-carbonitrile
CID 130664792
5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carbonitrile
CID 171880909
5-(1-amino-2-oxopropyl)pyridine-3-carbonitrile
CID 55292710
5-[1-(4-chlorophenyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]ethenylamino]butan-2-yl]pyridine-3-carbonitrile;propan-2-ol
CID 143797705
5-[(1R)-1-aminopentyl]pyridine-3-carbonitrile
CID 55263350
5-chloropyridine-3-carbonitrile
CID 12645070
4-[1-(4-chlorophenyl)ethyl]benzonitrile
CID 77428758
5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171861687
N-[2-(5-cyano-3-pyridinyl)-3-(4-fluorophenyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 69190089
5-[2-[3-(aminomethyl)-4-fluorophenyl]ethynyl]pyridine-3-carbonitrile
CID 67047497
4-[(2R)-1-aminopropan-2-yl]benzonitrile
CID 139426388

Frequently Asked Questions

What is the IUPAC name of 5-[1-amino-3-(4-chlorophenyl)butan-2-yl]pyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 5-[1-amino-3-(4-chlorophenyl)butan-2-yl]pyridine-3-carbonitrile;hydrochloride (CID 69145462) is 5-[1-amino-3-(4-chlorophenyl)butan-2-yl]pyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 5-[1-amino-3-(4-chlorophenyl)butan-2-yl]pyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 5-[1-amino-3-(4-chlorophenyl)butan-2-yl]pyridine-3-carbonitrile;hydrochloride is CC(c1ccc(Cl)cc1)C(CN)c1cncc(C#N)c1.Cl.
What is the InChIKey of 5-[1-amino-3-(4-chlorophenyl)butan-2-yl]pyridine-3-carbonitrile;hydrochloride?
The InChIKey is FVJCSLBCYDIHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3.ClH/c1-11(13-2-4-15(17)5-3-13)16(8-19)14-6-12(7-18)9-20-10-14;/h2-6,9-11,16H,8,19H2,1H3;1H.
What are the key properties of 5-[1-amino-3-(4-chlorophenyl)butan-2-yl]pyridine-3-carbonitrile;hydrochloride?
5-[1-amino-3-(4-chlorophenyl)butan-2-yl]pyridine-3-carbonitrile;hydrochloride has a molecular weight of 322.24 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-amino-3-(4-chlorophenyl)butan-2-yl]pyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 69145462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).