7-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide

C19H24N6O3S2 — CID 67196806

IUPAC7-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide
SMILESCN(C)C1CCN(c2ccc3c(=O)c(S(=O)(=O)N(C)C)cn(-c4nccs4)c3n2)C1
InChIInChI=1S/C19H24N6O3S2/c1-22(2)13-7-9-24(11-13)16-6-5-14-17(26)15(30(27,28)23(3)4)12-25(18(14)21-16)19-20-8-10-29-19/h5-6,8,10,12-13H,7,9,11H2,1-4H3
InChIKeyYELQPVTWTKCPQF-UHFFFAOYSA-N
MW448.57 g/mol
LogP1.23
Rot. Bonds5

About 7-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide

7-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide (PubChem CID 67196806) has the molecular formula C19H24N6O3S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 7-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide.

Molecular Properties

Compound Name7-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide
PubChem CID67196806
Molecular FormulaC19H24N6O3S2
Molecular Weight448.57 g/mol
Exact Mass448.14
IUPAC Name7-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide
SMILESCN(C)C1CCN(c2ccc3c(=O)c(S(=O)(=O)N(C)C)cn(-c4nccs4)c3n2)C1
InChIInChI=1S/C19H24N6O3S2/c1-22(2)13-7-9-24(11-13)16-6-5-14-17(26)15(30(27,28)23(3)4)12-25(18(14)21-16)19-20-8-10-29-19/h5-6,8,10,12-13H,7,9,11H2,1-4H3
InChIKeyYELQPVTWTKCPQF-UHFFFAOYSA-N
XLogP1.23
TPSA91.64 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N,N-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide
CID 67150408
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide
CID 52919501
3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-8-oxo-5-(1,3-thiazol-2-yl)pyrido[2,3-b]pyrazine-7-carboxylic acid
CID 52919866
N,N-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 130709244
7-[3-methoxy-4-(methylamino)pyrrolidin-1-yl]-3-piperidin-1-ylsulfonyl-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one
CID 75953845
7-(3-aminopyrrolidin-1-yl)-3-[2-(1-ethylimidazol-2-yl)ethyl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one
CID 139911889
7-[3-[[(2R)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70198540
7-[3-(methylamino)-4-methylsulfanylpyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 18969065
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
7-(3-amino-4-fluoropyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 18969089
7-(3-amino-4-methoxypyrrolidin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 25204356
carbon dioxide;(3S,4R)-1-[6-methyl-5-oxo-8-(1,3-thiazol-2-yl)-1,8-naphthyridin-2-yl]-4-[methyl-[5-oxo-8-(1,3-thiazol-2-yl)-1,8-naphthyridin-2-yl]amino]pyrrolidine-3-carbaldehyde
CID 123950667

Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide?
The IUPAC name of 7-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide (CID 67196806) is 7-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide.
What is the SMILES notation for 7-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide?
The canonical SMILES for 7-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide is CN(C)C1CCN(c2ccc3c(=O)c(S(=O)(=O)N(C)C)cn(-c4nccs4)c3n2)C1.
What is the InChIKey of 7-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide?
The InChIKey is YELQPVTWTKCPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3S2/c1-22(2)13-7-9-24(11-13)16-6-5-14-17(26)15(30(27,28)23(3)4)12-25(18(14)21-16)19-20-8-10-29-19/h5-6,8,10,12-13H,7,9,11H2,1-4H3.
What are the key properties of 7-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide?
7-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide has a molecular weight of 448.57 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide is sourced from PubChem (CID 67196806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).