1-cyclopropyl-7-[3,3-dimethyl-4-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

C20H26N4O3 — CID 171344417

IUPAC1-cyclopropyl-7-[3,3-dimethyl-4-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCNCC1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3n2)CC1(C)C
InChIInChI=1S/C20H26N4O3/c1-20(2)11-23(9-12(20)8-21-3)16-7-6-14-17(25)15(19(26)27)10-24(13-4-5-13)18(14)22-16/h6-7,10,12-13,21H,4-5,8-9,11H2,1-3H3,(H,26,27)
InChIKeyHPLALKMVMCOWFE-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.11
Rot. Bonds5

About 1-cyclopropyl-7-[3,3-dimethyl-4-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-cyclopropyl-7-[3,3-dimethyl-4-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 171344417) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-cyclopropyl-7-[3,3-dimethyl-4-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-7-[3,3-dimethyl-4-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID171344417
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-cyclopropyl-7-[3,3-dimethyl-4-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCNCC1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3n2)CC1(C)C
InChIInChI=1S/C20H26N4O3/c1-20(2)11-23(9-12(20)8-21-3)16-7-6-14-17(25)15(19(26)27)10-24(13-4-5-13)18(14)22-16/h6-7,10,12-13,21H,4-5,8-9,11H2,1-3H3,(H,26,27)
InChIKeyHPLALKMVMCOWFE-UHFFFAOYSA-N
XLogP2.11
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70416203
7-(4-amino-3-methoxy-3-methylpyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 18969108
1-cyclopropyl-6-fluoro-7-[(1S,5S,6S)-6-hydroxy-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 67764507
7-(4-amino-3,3-dimethylpyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 139625003
1-cyclopropyl-7-[(3S,4S)-3-(ethylaminomethyl)-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70382679
8-(3-amino-3-methylazetidin-1-yl)-1-cyclopropyl-7-fluoro-4-oxobenzo[b][1,8]naphthyridine-3-carboxylic acid
CID 19423649
7-[3-[(5-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435467
1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid;4-(methylamino)butanenitrile
CID 143050546
7-[3-(methylamino)-4-methylsulfanylpyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 18969065
7-[3-(butylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434889
1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-[(5-methoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 142434589
5-amino-7-(4-amino-3,3-dimethylpyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 139625009

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-[3,3-dimethyl-4-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-7-[3,3-dimethyl-4-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 171344417) is 1-cyclopropyl-7-[3,3-dimethyl-4-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-7-[3,3-dimethyl-4-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-7-[3,3-dimethyl-4-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is CNCC1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3n2)CC1(C)C.
What is the InChIKey of 1-cyclopropyl-7-[3,3-dimethyl-4-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is HPLALKMVMCOWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-20(2)11-23(9-12(20)8-21-3)16-7-6-14-17(25)15(19(26)27)10-24(13-4-5-13)18(14)22-16/h6-7,10,12-13,21H,4-5,8-9,11H2,1-3H3,(H,26,27).
What are the key properties of 1-cyclopropyl-7-[3,3-dimethyl-4-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
1-cyclopropyl-7-[3,3-dimethyl-4-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 370.45 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-[3,3-dimethyl-4-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 171344417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).