4-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

C17H10N4O3S — CID 175942227

IUPAC4-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2nc(-c3cccnc3)cs2)c2ncccc2c1=O
InChIInChI=1S/C17H10N4O3S/c22-14-11-4-2-6-19-15(11)21(8-12(14)16(23)24)17-20-13(9-25-17)10-3-1-5-18-7-10/h1-9H,(H,23,24)
InChIKeyBKJJQJRMCONDND-UHFFFAOYSA-N
MW350.36 g/mol
LogP2.60
Rot. Bonds3

About 4-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

4-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 175942227) has the molecular formula C17H10N4O3S and a molecular weight of 350.36 g/mol. Its IUPAC name is 4-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID175942227
Molecular FormulaC17H10N4O3S
Molecular Weight350.36 g/mol
Exact Mass350.05
IUPAC Name4-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2nc(-c3cccnc3)cs2)c2ncccc2c1=O
InChIInChI=1S/C17H10N4O3S/c22-14-11-4-2-6-19-15(11)21(8-12(14)16(23)24)17-20-13(9-25-17)10-3-1-5-18-7-10/h1-9H,(H,23,24)
InChIKeyBKJJQJRMCONDND-UHFFFAOYSA-N
XLogP2.60
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 10934616
4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylic acid
CID 70010982
7-[3-[(2-ethoxyethylamino)-hydroxymethyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 146345715
ethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate
CID 12972530
4-oxothiopyrano[2,3-b]pyridine-3-carboxylic acid
CID 74892802
N-(3,5-dichloro-4-pyridinyl)-4-oxo-1-(3-pyridin-3-ylphenyl)-1,8-naphthyridine-3-carboxamide
CID 10206520
1-[2-chloro-4-(fluoromethyl)phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 155679213
2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 133371880
4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid
CID 23636390
4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid
CID 70598090
2-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-4-carboxylic acid
CID 104826784
1-[3-[1-hydroxy-6-(2-hydroxypropan-2-yl)pyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 20805066

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 175942227) is 4-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2nc(-c3cccnc3)cs2)c2ncccc2c1=O.
What is the InChIKey of 4-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is BKJJQJRMCONDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4O3S/c22-14-11-4-2-6-19-15(11)21(8-12(14)16(23)24)17-20-13(9-25-17)10-3-1-5-18-7-10/h1-9H,(H,23,24).
What are the key properties of 4-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
4-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 350.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 175942227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).