5-[(dimethylsulfamoylamino)methyl]-2-(2-fluorobenzoyl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridine

C19H23FN4O3S — CID 42273834

IUPAC5-[(dimethylsulfamoylamino)methyl]-2-(2-fluorobenzoyl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridine
SMILESCc1ncc2c(c1CNS(=O)(=O)N(C)C)CCN(C(=O)c1ccccc1F)C2
InChIInChI=1S/C19H23FN4O3S/c1-13-17(11-22-28(26,27)23(2)3)15-8-9-24(12-14(15)10-21-13)19(25)16-6-4-5-7-18(16)20/h4-7,10,22H,8-9,11-12H2,1-3H3
InChIKeyFLGMTTUJNSPYMP-UHFFFAOYSA-N
MW406.48 g/mol
LogP1.62
Rot. Bonds5

About 5-[(dimethylsulfamoylamino)methyl]-2-(2-fluorobenzoyl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridine

5-[(dimethylsulfamoylamino)methyl]-2-(2-fluorobenzoyl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 42273834) has the molecular formula C19H23FN4O3S and a molecular weight of 406.48 g/mol. Its IUPAC name is 5-[(dimethylsulfamoylamino)methyl]-2-(2-fluorobenzoyl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name5-[(dimethylsulfamoylamino)methyl]-2-(2-fluorobenzoyl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID42273834
Molecular FormulaC19H23FN4O3S
Molecular Weight406.48 g/mol
Exact Mass406.15
IUPAC Name5-[(dimethylsulfamoylamino)methyl]-2-(2-fluorobenzoyl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridine
SMILESCc1ncc2c(c1CNS(=O)(=O)N(C)C)CCN(C(=O)c1ccccc1F)C2
InChIInChI=1S/C19H23FN4O3S/c1-13-17(11-22-28(26,27)23(2)3)15-8-9-24(12-14(15)10-21-13)19(25)16-6-4-5-7-18(16)20/h4-7,10,22H,8-9,11-12H2,1-3H3
InChIKeyFLGMTTUJNSPYMP-UHFFFAOYSA-N
XLogP1.62
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylsulfamoylamino)methyl]-2-(2-fluorobenzoyl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 5-[(dimethylsulfamoylamino)methyl]-2-(2-fluorobenzoyl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridine (CID 42273834) is 5-[(dimethylsulfamoylamino)methyl]-2-(2-fluorobenzoyl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 5-[(dimethylsulfamoylamino)methyl]-2-(2-fluorobenzoyl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 5-[(dimethylsulfamoylamino)methyl]-2-(2-fluorobenzoyl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridine is Cc1ncc2c(c1CNS(=O)(=O)N(C)C)CCN(C(=O)c1ccccc1F)C2.
What is the InChIKey of 5-[(dimethylsulfamoylamino)methyl]-2-(2-fluorobenzoyl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is FLGMTTUJNSPYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3S/c1-13-17(11-22-28(26,27)23(2)3)15-8-9-24(12-14(15)10-21-13)19(25)16-6-4-5-7-18(16)20/h4-7,10,22H,8-9,11-12H2,1-3H3.
What are the key properties of 5-[(dimethylsulfamoylamino)methyl]-2-(2-fluorobenzoyl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridine?
5-[(dimethylsulfamoylamino)methyl]-2-(2-fluorobenzoyl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 406.48 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylsulfamoylamino)methyl]-2-(2-fluorobenzoyl)-6-methyl-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 42273834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).