N-methyl-N-(4-methylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide

C19H23N3OS — CID 167779080

IUPACN-methyl-N-(4-methylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide
SMILESCSc1ccc(N(C)C(=O)CCc2ccc3c(n2)NCCC3)cc1
InChIInChI=1S/C19H23N3OS/c1-22(16-8-10-17(24-2)11-9-16)18(23)12-7-15-6-5-14-4-3-13-20-19(14)21-15/h5-6,8-11H,3-4,7,12-13H2,1-2H3,(H,20,21)
InChIKeyJFVLGLXQDGSQPQ-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.76
Rot. Bonds5

About N-methyl-N-(4-methylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide

N-methyl-N-(4-methylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide (PubChem CID 167779080) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is N-methyl-N-(4-methylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide
PubChem CID167779080
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC NameN-methyl-N-(4-methylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide
SMILESCSc1ccc(N(C)C(=O)CCc2ccc3c(n2)NCCC3)cc1
InChIInChI=1S/C19H23N3OS/c1-22(16-8-10-17(24-2)11-9-16)18(23)12-7-15-6-5-14-4-3-13-20-19(14)21-15/h5-6,8-11H,3-4,7,12-13H2,1-2H3,(H,20,21)
InChIKeyJFVLGLXQDGSQPQ-UHFFFAOYSA-N
XLogP3.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;trihydrochloride
CID 169448886
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid
CID 22570252
tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]carbamate
CID 11761020
tert-butyl N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate
CID 54085210
2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)ethanol
CID 21054357
N-[4-(1,1-difluoroethyl)phenyl]-N-methyl-3-(5,6,7,8-tetrahydroquinolin-2-yl)propanamide
CID 90986738
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanesulfonamide
CID 69025708
N-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine
CID 68525783
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine;dihydrochloride
CID 22678213
7-ethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen
CID 176962671
4-[cyclopropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid
CID 139467801
3-[acetyl-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]azetidin-3-yl]amino]propanoic acid
CID 134514783

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide?
The IUPAC name of N-methyl-N-(4-methylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide (CID 167779080) is N-methyl-N-(4-methylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide.
What is the SMILES notation for N-methyl-N-(4-methylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide?
The canonical SMILES for N-methyl-N-(4-methylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide is CSc1ccc(N(C)C(=O)CCc2ccc3c(n2)NCCC3)cc1.
What is the InChIKey of N-methyl-N-(4-methylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide?
The InChIKey is JFVLGLXQDGSQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-22(16-8-10-17(24-2)11-9-16)18(23)12-7-15-6-5-14-4-3-13-20-19(14)21-15/h5-6,8-11H,3-4,7,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-methyl-N-(4-methylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide?
N-methyl-N-(4-methylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide has a molecular weight of 341.48 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanamide is sourced from PubChem (CID 167779080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).