2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]acetamide

C18H20ClN3O — CID 70887121

IUPAC2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C18H20ClN3O/c19-15-6-3-13(4-7-15)12-17(23)20-11-9-16-8-5-14-2-1-10-21-18(14)22-16/h3-8H,1-2,9-12H2,(H,20,23)(H,21,22)
InChIKeyOHUPIVFRERJPEY-UHFFFAOYSA-N
MW329.83 g/mol
LogP2.99
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]acetamide

2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]acetamide (PubChem CID 70887121) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]acetamide
PubChem CID70887121
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C18H20ClN3O/c19-15-6-3-13(4-7-15)12-17(23)20-11-9-16-8-5-14-2-1-10-21-18(14)22-16/h3-8H,1-2,9-12H2,(H,20,23)(H,21,22)
InChIKeyOHUPIVFRERJPEY-UHFFFAOYSA-N
XLogP2.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-N-(hydroxymethyl)-1,2,2-trimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine-4-carboxamide (enantiomeric mix)
CID 46891330
(3-Chloro-4-fluorophenyl)(4-fluoro-4-((((5-methyl-6-(methylamino)pyridin-2-yl)methyl)amino)methyl)piperidin-1-yl)methanone
CID 9802369
[4-[[[6-(Azetidin-1-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 10025854
(3-Chlorophenyl)-[4-[[[6-(dimethylamino)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10549236
(3,4-Dichlorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10670050
(3-Chloro-4-fluorophenyl)-[4-[[[6-(dimethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10694239
(3-Chloro-4-fluorophenyl)-[4-[[[6-(dimethylamino)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10740939
(3-Chloro-4-fluorophenyl)-[4-[[[6-(ethylamino)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10812183
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 11795765
7-(5-(4-(2,3-dichlorophenyl)piperazin-1-yl)pentyl)-3,4-dihydro-1,8-naphthyridin-2(1H)-one
CID 21073872
2-(2-chloro-6-fluorophenyl)-N-(6-methylpyridin-2-yl)acetamide
CID 841917
2-(4-chlorophenyl)-N-(pyridin-2-yl)acetamide
CID 670085

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]acetamide (CID 70887121) is 2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCCc1ccc2c(n1)NCCC2.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]acetamide?
The InChIKey is OHUPIVFRERJPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-15-6-3-13(4-7-15)12-17(23)20-11-9-16-8-5-14-2-1-10-21-18(14)22-16/h3-8H,1-2,9-12H2,(H,20,23)(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]acetamide has a molecular weight of 329.83 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]acetamide is sourced from PubChem (CID 70887121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).