7-chloro-1-cyclopropyl-6-fluoro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide

C16H13ClFN5O5S — CID 175445507

IUPAC7-chloro-1-cyclopropyl-6-fluoro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCS(=O)(=O)c1nnc(CNC(=O)c2cn(C3CC3)c3nc(Cl)c(F)cc3c2=O)o1
InChIInChI=1S/C16H13ClFN5O5S/c1-29(26,27)16-22-21-11(28-16)5-19-15(25)9-6-23(7-2-3-7)14-8(12(9)24)4-10(18)13(17)20-14/h4,6-7H,2-3,5H2,1H3,(H,19,25)
InChIKeyFVISRSJXNWNTSI-UHFFFAOYSA-N
MW441.83 g/mol
LogP1.24
Rot. Bonds5

About 7-chloro-1-cyclopropyl-6-fluoro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide

7-chloro-1-cyclopropyl-6-fluoro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 175445507) has the molecular formula C16H13ClFN5O5S and a molecular weight of 441.83 g/mol. Its IUPAC name is 7-chloro-1-cyclopropyl-6-fluoro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-chloro-1-cyclopropyl-6-fluoro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID175445507
Molecular FormulaC16H13ClFN5O5S
Molecular Weight441.83 g/mol
Exact Mass441.03
IUPAC Name7-chloro-1-cyclopropyl-6-fluoro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCS(=O)(=O)c1nnc(CNC(=O)c2cn(C3CC3)c3nc(Cl)c(F)cc3c2=O)o1
InChIInChI=1S/C16H13ClFN5O5S/c1-29(26,27)16-22-21-11(28-16)5-19-15(25)9-6-23(7-2-3-7)14-8(12(9)24)4-10(18)13(17)20-14/h4,6-7H,2-3,5H2,1H3,(H,19,25)
InChIKeyFVISRSJXNWNTSI-UHFFFAOYSA-N
XLogP1.24
TPSA137.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.83
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl 7-chloro-1-cyclohexyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 46947388
8-chloro-1-cyclopropyl-7-fluoro-4-oxobenzo[b][1,8]naphthyridine-3-carboxylic acid
CID 14700556
1-cyclopropyl-6-fluoro-4-oxo-7-pyrrol-1-yl-1,8-naphthyridine-3-carboxylic acid
CID 70462520
7-chloro-1-cyclopropyl-6-fluoro-4-oxo-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide
CID 99581512
1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 13471156
N-[(4-chlorophenyl)methyl]-1-cyclopropyl-6-methyl-4-oxoquinoline-3-carboxamide;ethane
CID 142006209
methylsulfonyl 7-[3-(aminomethyl)-4-(methoxyamino)-2,3-dihydropyrrol-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 57199945
N-[(2-chloro-4-methoxyphenyl)methyl]-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxamide
CID 59028070
1-cyclopentyl-5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyridine-3-carboxamide
CID 86711597
1-cyclopropyl-7-[(3S,4S)-3-(ethylaminomethyl)-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70382679
7-[(3R,4E)-3-(aminomethyl)-4-methoxyimino-3-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methanesulfonic acid
CID 87216746
ethyl 1-cyclopropyl-7,8,9-trifluoro-4-oxobenzo[b][1,8]naphthyridine-3-carboxylate
CID 18549164

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-cyclopropyl-6-fluoro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 7-chloro-1-cyclopropyl-6-fluoro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 175445507) is 7-chloro-1-cyclopropyl-6-fluoro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-chloro-1-cyclopropyl-6-fluoro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 7-chloro-1-cyclopropyl-6-fluoro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide is CS(=O)(=O)c1nnc(CNC(=O)c2cn(C3CC3)c3nc(Cl)c(F)cc3c2=O)o1.
What is the InChIKey of 7-chloro-1-cyclopropyl-6-fluoro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is FVISRSJXNWNTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5O5S/c1-29(26,27)16-22-21-11(28-16)5-19-15(25)9-6-23(7-2-3-7)14-8(12(9)24)4-10(18)13(17)20-14/h4,6-7H,2-3,5H2,1H3,(H,19,25).
What are the key properties of 7-chloro-1-cyclopropyl-6-fluoro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
7-chloro-1-cyclopropyl-6-fluoro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 441.83 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-cyclopropyl-6-fluoro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 175445507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).