N-[(4-chlorophenyl)methyl]-2-[6-(3-hydroxyprop-1-ynyl)-4-oxo-1H-1,5-naphthyridin-3-yl]acetamide

C20H16ClN3O3 — CID 139979666

IUPACN-[(4-chlorophenyl)methyl]-2-[6-(3-hydroxyprop-1-ynyl)-4-oxo-1H-1,5-naphthyridin-3-yl]acetamide
SMILESO=C(Cc1c[nH]c2ccc(C#CCO)nc2c1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H16ClN3O3/c21-15-5-3-13(4-6-15)11-23-18(26)10-14-12-22-17-8-7-16(2-1-9-25)24-19(17)20(14)27/h3-8,12,25H,9-11H2,(H,22,27)(H,23,26)
InChIKeyLHZGTPKBWKMUNR-UHFFFAOYSA-N
MW381.82 g/mol
LogP1.78
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-[6-(3-hydroxyprop-1-ynyl)-4-oxo-1H-1,5-naphthyridin-3-yl]acetamide

N-[(4-chlorophenyl)methyl]-2-[6-(3-hydroxyprop-1-ynyl)-4-oxo-1H-1,5-naphthyridin-3-yl]acetamide (PubChem CID 139979666) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[6-(3-hydroxyprop-1-ynyl)-4-oxo-1H-1,5-naphthyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[6-(3-hydroxyprop-1-ynyl)-4-oxo-1H-1,5-naphthyridin-3-yl]acetamide
PubChem CID139979666
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[6-(3-hydroxyprop-1-ynyl)-4-oxo-1H-1,5-naphthyridin-3-yl]acetamide
SMILESO=C(Cc1c[nH]c2ccc(C#CCO)nc2c1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H16ClN3O3/c21-15-5-3-13(4-6-15)11-23-18(26)10-14-12-22-17-8-7-16(2-1-9-25)24-19(17)20(14)27/h3-8,12,25H,9-11H2,(H,22,27)(H,23,26)
InChIKeyLHZGTPKBWKMUNR-UHFFFAOYSA-N
XLogP1.78
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-8-oxo-5H-pyrido[3,2-d]pyrimidin-7-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 139979668
2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 113209503
2-(5-chloro-1H-indol-3-yl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]acetamide
CID 110625376
N-[(4-chlorophenyl)methyl]-2-[2-(3-hydroxyprop-1-ynyl)-8-oxopyrimido[1,2-b][1,2,4]triazin-7-yl]acetamide
CID 139979748
2-bromo-N-[(4-chlorophenyl)methyl]-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxamide
CID 22722030
N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684075
2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 60736185
6-(3-hydroxyprop-1-ynyl)-8-methyl-N-[(4-methylphenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide
CID 59877154
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
N-[(4-chlorophenyl)methyl]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 70563287
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[6-(3-hydroxyprop-1-ynyl)-4-oxo-1H-1,5-naphthyridin-3-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[6-(3-hydroxyprop-1-ynyl)-4-oxo-1H-1,5-naphthyridin-3-yl]acetamide (CID 139979666) is N-[(4-chlorophenyl)methyl]-2-[6-(3-hydroxyprop-1-ynyl)-4-oxo-1H-1,5-naphthyridin-3-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[6-(3-hydroxyprop-1-ynyl)-4-oxo-1H-1,5-naphthyridin-3-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[6-(3-hydroxyprop-1-ynyl)-4-oxo-1H-1,5-naphthyridin-3-yl]acetamide is O=C(Cc1c[nH]c2ccc(C#CCO)nc2c1=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[6-(3-hydroxyprop-1-ynyl)-4-oxo-1H-1,5-naphthyridin-3-yl]acetamide?
The InChIKey is LHZGTPKBWKMUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c21-15-5-3-13(4-6-15)11-23-18(26)10-14-12-22-17-8-7-16(2-1-9-25)24-19(17)20(14)27/h3-8,12,25H,9-11H2,(H,22,27)(H,23,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[6-(3-hydroxyprop-1-ynyl)-4-oxo-1H-1,5-naphthyridin-3-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[6-(3-hydroxyprop-1-ynyl)-4-oxo-1H-1,5-naphthyridin-3-yl]acetamide has a molecular weight of 381.82 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[6-(3-hydroxyprop-1-ynyl)-4-oxo-1H-1,5-naphthyridin-3-yl]acetamide is sourced from PubChem (CID 139979666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).