6-[(6-acetylquinolin-4-yl)amino]pyridine-3-carboxylic acid

C17H13N3O3 — CID 157043966

IUPAC6-[(6-acetylquinolin-4-yl)amino]pyridine-3-carboxylic acid
SMILESCC(=O)c1ccc2nccc(Nc3ccc(C(=O)O)cn3)c2c1
InChIInChI=1S/C17H13N3O3/c1-10(21)11-2-4-14-13(8-11)15(6-7-18-14)20-16-5-3-12(9-19-16)17(22)23/h2-9H,1H3,(H,22,23)(H,18,19,20)
InChIKeyDISOMHVPTYOVCT-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.27
Rot. Bonds4

About 6-[(6-acetylquinolin-4-yl)amino]pyridine-3-carboxylic acid

6-[(6-acetylquinolin-4-yl)amino]pyridine-3-carboxylic acid (PubChem CID 157043966) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 6-[(6-acetylquinolin-4-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(6-acetylquinolin-4-yl)amino]pyridine-3-carboxylic acid
PubChem CID157043966
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name6-[(6-acetylquinolin-4-yl)amino]pyridine-3-carboxylic acid
SMILESCC(=O)c1ccc2nccc(Nc3ccc(C(=O)O)cn3)c2c1
InChIInChI=1S/C17H13N3O3/c1-10(21)11-2-4-14-13(8-11)15(6-7-18-14)20-16-5-3-12(9-19-16)17(22)23/h2-9H,1H3,(H,22,23)(H,18,19,20)
InChIKeyDISOMHVPTYOVCT-UHFFFAOYSA-N
XLogP3.27
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[5-[[4-(pyridin-4-ylamino)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
CID 130249565
methyl 4-[[5-[(4-anilinophenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
CID 170005441
N-(5-anilino-2-pyridinyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide
CID 157044230
4-(3-acetylanilino)quinoline-3,6-dicarboxylic acid
CID 91206035
4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide
CID 157044112
6-(2-methylsulfanylanilino)pyridine-3-carboxylic acid
CID 107645121
6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide
CID 157044051
4-methylquinoline-6-carboxylic acid;hydrochloride
CID 71811102
4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid
CID 157295084
6-(4-chloro-2-fluoroanilino)pyridine-3-carboxylic acid
CID 54954335
6-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide
CID 158257915
6-(4-methoxy-2-methylanilino)pyridine-3-carboxylic acid
CID 55130145

Frequently Asked Questions

What is the IUPAC name of 6-[(6-acetylquinolin-4-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(6-acetylquinolin-4-yl)amino]pyridine-3-carboxylic acid (CID 157043966) is 6-[(6-acetylquinolin-4-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(6-acetylquinolin-4-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(6-acetylquinolin-4-yl)amino]pyridine-3-carboxylic acid is CC(=O)c1ccc2nccc(Nc3ccc(C(=O)O)cn3)c2c1.
What is the InChIKey of 6-[(6-acetylquinolin-4-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is DISOMHVPTYOVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c1-10(21)11-2-4-14-13(8-11)15(6-7-18-14)20-16-5-3-12(9-19-16)17(22)23/h2-9H,1H3,(H,22,23)(H,18,19,20).
What are the key properties of 6-[(6-acetylquinolin-4-yl)amino]pyridine-3-carboxylic acid?
6-[(6-acetylquinolin-4-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 307.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-acetylquinolin-4-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 157043966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).