5-[(1S)-1-aminopropyl]pyridine-3-carbonitrile

C9H11N3 — CID 130664792

IUPAC5-[(1S)-1-aminopropyl]pyridine-3-carbonitrile
SMILESCC[C@H](N)c1cncc(C#N)c1
InChIInChI=1S/C9H11N3/c1-2-9(11)8-3-7(4-10)5-12-6-8/h3,5-6,9H,2,11H2,1H3/t9-/m0/s1
InChIKeyJYVBEPITEYTFIZ-VIFPVBQESA-N
MW161.21 g/mol
LogP1.36
Rot. Bonds2

About 5-[(1S)-1-aminopropyl]pyridine-3-carbonitrile

5-[(1S)-1-aminopropyl]pyridine-3-carbonitrile (PubChem CID 130664792) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 5-[(1S)-1-aminopropyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(1S)-1-aminopropyl]pyridine-3-carbonitrile
PubChem CID130664792
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name5-[(1S)-1-aminopropyl]pyridine-3-carbonitrile
SMILESCC[C@H](N)c1cncc(C#N)c1
InChIInChI=1S/C9H11N3/c1-2-9(11)8-3-7(4-10)5-12-6-8/h3,5-6,9H,2,11H2,1H3/t9-/m0/s1
InChIKeyJYVBEPITEYTFIZ-VIFPVBQESA-N
XLogP1.36
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1R)-1-aminopentyl]pyridine-3-carbonitrile
CID 55263350
5-(1-amino-2-oxopropyl)pyridine-3-carbonitrile
CID 55292710
5-(1-cyano-3-methylpentan-2-yl)pyridine-3-carbonitrile
CID 155247391
1-(5-bromo-3-pyridinyl)propan-1-amine
CID 67392752
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine
CID 68652993
(1S)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171218179
(1R)-1-(5-bromo-3-pyridinyl)propan-1-amine;hydrochloride
CID 171198661
5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carbonitrile
CID 171880909
4-[5-(1-aminopropyl)-2-pyridinyl]benzonitrile
CID 70671232
5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171861687
5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171900618
(1R)-1-(5-ethynyl-3-pyridinyl)ethane-1,2-diamine
CID 74891559

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-aminopropyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[(1S)-1-aminopropyl]pyridine-3-carbonitrile (CID 130664792) is 5-[(1S)-1-aminopropyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(1S)-1-aminopropyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[(1S)-1-aminopropyl]pyridine-3-carbonitrile is CC[C@H](N)c1cncc(C#N)c1.
What is the InChIKey of 5-[(1S)-1-aminopropyl]pyridine-3-carbonitrile?
The InChIKey is JYVBEPITEYTFIZ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H11N3/c1-2-9(11)8-3-7(4-10)5-12-6-8/h3,5-6,9H,2,11H2,1H3/t9-/m0/s1.
What are the key properties of 5-[(1S)-1-aminopropyl]pyridine-3-carbonitrile?
5-[(1S)-1-aminopropyl]pyridine-3-carbonitrile has a molecular weight of 161.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-aminopropyl]pyridine-3-carbonitrile is sourced from PubChem (CID 130664792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).