6-(3-cyanopropylamino)pyridine-2-carboxylic acid

C10H11N3O2 — CID 122050966

IUPAC6-(3-cyanopropylamino)pyridine-2-carboxylic acid
SMILESN#CCCCNc1cccc(C(=O)O)n1
InChIInChI=1S/C10H11N3O2/c11-6-1-2-7-12-9-5-3-4-8(13-9)10(14)15/h3-5H,1-2,7H2,(H,12,13)(H,14,15)
InChIKeyDZKCIUDBVWQHGJ-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.50
Rot. Bonds5

About 6-(3-cyanopropylamino)pyridine-2-carboxylic acid

6-(3-cyanopropylamino)pyridine-2-carboxylic acid (PubChem CID 122050966) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 6-(3-cyanopropylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-cyanopropylamino)pyridine-2-carboxylic acid
PubChem CID122050966
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name6-(3-cyanopropylamino)pyridine-2-carboxylic acid
SMILESN#CCCCNc1cccc(C(=O)O)n1
InChIInChI=1S/C10H11N3O2/c11-6-1-2-7-12-9-5-3-4-8(13-9)10(14)15/h3-5H,1-2,7H2,(H,12,13)(H,14,15)
InChIKeyDZKCIUDBVWQHGJ-UHFFFAOYSA-N
XLogP1.50
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(hex-5-ynylamino)pyridine-2-carboxylic acid
CID 106213743
6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid
CID 122053976
6-(3-cyanopropylamino)pyridine-2-carbonitrile
CID 130778540
6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid
CID 122052680
6-(3-phenoxypropylamino)pyridine-2-carboxylic acid
CID 62380614
6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid
CID 115520118
6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid
CID 122057794
6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid
CID 122057061
6-[[1-(cyanomethyl)cyclopropyl]methylamino]pyridine-2-carboxylic acid
CID 122057114
6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 62239044
6-[(4-cyanophenyl)methylamino]pyridine-2-carboxylic acid
CID 62268952
6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid
CID 122054050

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanopropylamino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-cyanopropylamino)pyridine-2-carboxylic acid (CID 122050966) is 6-(3-cyanopropylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-cyanopropylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-cyanopropylamino)pyridine-2-carboxylic acid is N#CCCCNc1cccc(C(=O)O)n1.
What is the InChIKey of 6-(3-cyanopropylamino)pyridine-2-carboxylic acid?
The InChIKey is DZKCIUDBVWQHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-6-1-2-7-12-9-5-3-4-8(13-9)10(14)15/h3-5H,1-2,7H2,(H,12,13)(H,14,15).
What are the key properties of 6-(3-cyanopropylamino)pyridine-2-carboxylic acid?
6-(3-cyanopropylamino)pyridine-2-carboxylic acid has a molecular weight of 205.22 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanopropylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 122050966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).