4-(2-hydroxyethylsulfanyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide

C19H23N3O2S — CID 56883318

IUPAC4-(2-hydroxyethylsulfanyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
SMILESCc1ncc2c(c1CNC(=O)c1ccc(SCCO)cc1)CCNC2
InChIInChI=1S/C19H23N3O2S/c1-13-18(17-6-7-20-10-15(17)11-21-13)12-22-19(24)14-2-4-16(5-3-14)25-9-8-23/h2-5,11,20,23H,6-10,12H2,1H3,(H,22,24)
InChIKeyRHWPKOLFDGHXMR-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.05
Rot. Bonds6

About 4-(2-hydroxyethylsulfanyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide

4-(2-hydroxyethylsulfanyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide (PubChem CID 56883318) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfanyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfanyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
PubChem CID56883318
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name4-(2-hydroxyethylsulfanyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
SMILESCc1ncc2c(c1CNC(=O)c1ccc(SCCO)cc1)CCNC2
InChIInChI=1S/C19H23N3O2S/c1-13-18(17-6-7-20-10-15(17)11-21-13)12-22-19(24)14-2-4-16(5-3-14)25-9-8-23/h2-5,11,20,23H,6-10,12H2,1H3,(H,22,24)
InChIKeyRHWPKOLFDGHXMR-UHFFFAOYSA-N
XLogP2.05
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(2-hydroxyethylsulfanyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide with MolForge

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Related Compounds

N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-4-carboxamide
CID 56897206
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 56886955
3-hydroxy-4-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
CID 56904541
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 154893164
3-(4-hydroxyphenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
CID 56886039
3,5-dimethyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 56914454
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 56916353
5,7-dimethyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 56900912
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 56881694
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 56884755
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide;dihydrochloride
CID 154896503
5,7-dimethyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 56909513

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylsulfanyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide?
The IUPAC name of 4-(2-hydroxyethylsulfanyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide (CID 56883318) is 4-(2-hydroxyethylsulfanyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide.
What is the SMILES notation for 4-(2-hydroxyethylsulfanyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide?
The canonical SMILES for 4-(2-hydroxyethylsulfanyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide is Cc1ncc2c(c1CNC(=O)c1ccc(SCCO)cc1)CCNC2.
What is the InChIKey of 4-(2-hydroxyethylsulfanyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide?
The InChIKey is RHWPKOLFDGHXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13-18(17-6-7-20-10-15(17)11-21-13)12-22-19(24)14-2-4-16(5-3-14)25-9-8-23/h2-5,11,20,23H,6-10,12H2,1H3,(H,22,24).
What are the key properties of 4-(2-hydroxyethylsulfanyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide?
4-(2-hydroxyethylsulfanyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide has a molecular weight of 357.48 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylsulfanyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide is sourced from PubChem (CID 56883318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).