4-[(6-cyano-3-pyridinyl)amino]pentanoic acid

C11H13N3O2 — CID 115487300

IUPAC4-[(6-cyano-3-pyridinyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)Nc1ccc(C#N)nc1
InChIInChI=1S/C11H13N3O2/c1-8(2-5-11(15)16)14-10-4-3-9(6-12)13-7-10/h3-4,7-8,14H,2,5H2,1H3,(H,15,16)
InChIKeyJIBSZTKOTGUGGR-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.62
Rot. Bonds5

About 4-[(6-cyano-3-pyridinyl)amino]pentanoic acid

4-[(6-cyano-3-pyridinyl)amino]pentanoic acid (PubChem CID 115487300) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-[(6-cyano-3-pyridinyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(6-cyano-3-pyridinyl)amino]pentanoic acid
PubChem CID115487300
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-[(6-cyano-3-pyridinyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)Nc1ccc(C#N)nc1
InChIInChI=1S/C11H13N3O2/c1-8(2-5-11(15)16)14-10-4-3-9(6-12)13-7-10/h3-4,7-8,14H,2,5H2,1H3,(H,15,16)
InChIKeyJIBSZTKOTGUGGR-UHFFFAOYSA-N
XLogP1.62
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-cyano-3-pyridinyl)amino]butanamide
CID 115685029
5-(butan-2-ylamino)pyridine-2-carbonitrile
CID 79839653
5-(heptan-2-ylamino)pyridine-2-carbonitrile
CID 115487559
5-(hept-6-en-2-ylamino)pyridine-2-carbonitrile
CID 133436130
6-[(6-cyano-3-pyridinyl)amino]hexanoic acid
CID 115487217
(3R)-5-[(6-cyano-3-pyridinyl)amino]-3-methyl-5-oxopentanoic acid
CID 129392453
5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile
CID 79839031
6-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylhexanoic acid
CID 114612930
5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile
CID 79839810
N-(6-cyano-3-pyridinyl)acetamide
CID 59578592
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
CID 102609041
5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 79839884

Frequently Asked Questions

What is the IUPAC name of 4-[(6-cyano-3-pyridinyl)amino]pentanoic acid?
The IUPAC name of 4-[(6-cyano-3-pyridinyl)amino]pentanoic acid (CID 115487300) is 4-[(6-cyano-3-pyridinyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(6-cyano-3-pyridinyl)amino]pentanoic acid?
The canonical SMILES for 4-[(6-cyano-3-pyridinyl)amino]pentanoic acid is CC(CCC(=O)O)Nc1ccc(C#N)nc1.
What is the InChIKey of 4-[(6-cyano-3-pyridinyl)amino]pentanoic acid?
The InChIKey is JIBSZTKOTGUGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8(2-5-11(15)16)14-10-4-3-9(6-12)13-7-10/h3-4,7-8,14H,2,5H2,1H3,(H,15,16).
What are the key properties of 4-[(6-cyano-3-pyridinyl)amino]pentanoic acid?
4-[(6-cyano-3-pyridinyl)amino]pentanoic acid has a molecular weight of 219.24 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-cyano-3-pyridinyl)amino]pentanoic acid is sourced from PubChem (CID 115487300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).