5-amino-6-(quinolin-8-ylamino)pyridine-3-carboxylic acid

C15H12N4O2 — CID 81447920

IUPAC5-amino-6-(quinolin-8-ylamino)pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1Nc1cccc2cccnc12
InChIInChI=1S/C15H12N4O2/c16-11-7-10(15(20)21)8-18-14(11)19-12-5-1-3-9-4-2-6-17-13(9)12/h1-8H,16H2,(H,18,19)(H,20,21)
InChIKeyLCNDYOOHPDFUTR-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.65
Rot. Bonds3

About 5-amino-6-(quinolin-8-ylamino)pyridine-3-carboxylic acid

5-amino-6-(quinolin-8-ylamino)pyridine-3-carboxylic acid (PubChem CID 81447920) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 5-amino-6-(quinolin-8-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(quinolin-8-ylamino)pyridine-3-carboxylic acid
PubChem CID81447920
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name5-amino-6-(quinolin-8-ylamino)pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1Nc1cccc2cccnc12
InChIInChI=1S/C15H12N4O2/c16-11-7-10(15(20)21)8-18-14(11)19-12-5-1-3-9-4-2-6-17-13(9)12/h1-8H,16H2,(H,18,19)(H,20,21)
InChIKeyLCNDYOOHPDFUTR-UHFFFAOYSA-N
XLogP2.65
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(quinolin-8-ylamino)pyridine-3-carboxylic acid
CID 82535032
5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid
CID 81440129
5-amino-6-quinolin-8-yloxypyridine-3-carboxylic acid
CID 81447216
N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]benzohydrazide
CID 19144770
3-methyl-2-N-quinolin-8-ylpyridine-2,5-diamine
CID 62476690
N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19144781
3-amino-2-(quinolin-8-ylamino)benzamide
CID 115933843
6-pyrrolidin-1-yl-4-N-quinolin-8-ylpyrimidine-4,5-diamine
CID 19137290
1-[2-amino-4-(quinolin-8-ylamino)phenyl]ethanone
CID 104528278
6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144720
5-amino-6-(2,5-difluoro-4-methylanilino)pyridine-3-carboxylic acid
CID 103587165
5-amino-6-(2,5-dimethoxyanilino)pyridine-3-carboxylic acid
CID 81447017

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(quinolin-8-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(quinolin-8-ylamino)pyridine-3-carboxylic acid (CID 81447920) is 5-amino-6-(quinolin-8-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(quinolin-8-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(quinolin-8-ylamino)pyridine-3-carboxylic acid is Nc1cc(C(=O)O)cnc1Nc1cccc2cccnc12.
What is the InChIKey of 5-amino-6-(quinolin-8-ylamino)pyridine-3-carboxylic acid?
The InChIKey is LCNDYOOHPDFUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c16-11-7-10(15(20)21)8-18-14(11)19-12-5-1-3-9-4-2-6-17-13(9)12/h1-8H,16H2,(H,18,19)(H,20,21).
What are the key properties of 5-amino-6-(quinolin-8-ylamino)pyridine-3-carboxylic acid?
5-amino-6-(quinolin-8-ylamino)pyridine-3-carboxylic acid has a molecular weight of 280.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(quinolin-8-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81447920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).