5-amino-6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid

C15H14N4O2 — CID 81447117

IUPAC5-amino-6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid
SMILESN#CCCN(c1ccccc1)c1ncc(C(=O)O)cc1N
InChIInChI=1S/C15H14N4O2/c16-7-4-8-19(12-5-2-1-3-6-12)14-13(17)9-11(10-18-14)15(20)21/h1-3,5-6,9-10H,4,8,17H2,(H,20,21)
InChIKeyBOSOGKQZOPBKRL-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.41
Rot. Bonds5

About 5-amino-6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid

5-amino-6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid (PubChem CID 81447117) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-amino-6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid
PubChem CID81447117
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name5-amino-6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid
SMILESN#CCCN(c1ccccc1)c1ncc(C(=O)O)cc1N
InChIInChI=1S/C15H14N4O2/c16-7-4-8-19(12-5-2-1-3-6-12)14-13(17)9-11(10-18-14)15(20)21/h1-3,5-6,9-10H,4,8,17H2,(H,20,21)
InChIKeyBOSOGKQZOPBKRL-UHFFFAOYSA-N
XLogP2.41
TPSA103.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(N-(5-amino-3-bromo-4-methyl-2-pyridinyl)anilino)propanenitrile
CID 104506211
3-(N-(3-aminopyrazin-2-yl)anilino)propanenitrile
CID 102985244
5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid
CID 167448619
3-chloro-4-[N-(2-cyanoethyl)anilino]benzoic acid
CID 81146902
6-[2-cyanoethyl(methyl)amino]-5-methylpyridine-3-carboxylic acid
CID 80632148
5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid;ethane
CID 167448618
5-amino-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxylic acid
CID 81439426
3-(N-[5-(chloromethyl)-3-methyl-2-pyridinyl]anilino)propanenitrile
CID 80628426
3-(N-(5-bromo-3-nitro-2-pyridinyl)anilino)propanenitrile
CID 61228836
5-amino-6-[(2-chlorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81440145
3-(N-(5-fluoropyrimidin-2-yl)anilino)propanenitrile
CID 104606070
3-(N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)anilino)propanenitrile
CID 80916506

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid (CID 81447117) is 5-amino-6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid is N#CCCN(c1ccccc1)c1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid?
The InChIKey is BOSOGKQZOPBKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c16-7-4-8-19(12-5-2-1-3-6-12)14-13(17)9-11(10-18-14)15(20)21/h1-3,5-6,9-10H,4,8,17H2,(H,20,21).
What are the key properties of 5-amino-6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid?
5-amino-6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[N-(2-cyanoethyl)anilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81447117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).