[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] pyridine-3-carboxylate

C20H18N2O3 — CID 2385267

IUPAC[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] pyridine-3-carboxylate
SMILESCCN(C(=O)COC(=O)c1cccnc1)c1cccc2ccccc12
InChIInChI=1S/C20H18N2O3/c1-2-22(18-11-5-8-15-7-3-4-10-17(15)18)19(23)14-25-20(24)16-9-6-12-21-13-16/h3-13H,2,14H2,1H3
InChIKeyXGPJIHQZDGHCEG-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.44
Rot. Bonds5

About [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] pyridine-3-carboxylate

[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] pyridine-3-carboxylate (PubChem CID 2385267) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] pyridine-3-carboxylate
PubChem CID2385267
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] pyridine-3-carboxylate
SMILESCCN(C(=O)COC(=O)c1cccnc1)c1cccc2ccccc12
InChIInChI=1S/C20H18N2O3/c1-2-22(18-11-5-8-15-7-3-4-10-17(15)18)19(23)14-25-20(24)16-9-6-12-21-13-16/h3-13H,2,14H2,1H3
InChIKeyXGPJIHQZDGHCEG-UHFFFAOYSA-N
XLogP3.44
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-Methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 847689
Nicotinic acid naphthalen-1-ylcarbamoylmethyl ester
CID 847692
2-(Naphthalen-1-ylamino)-2-oxoethyl pyridine-2-carboxylate
CID 900761
[Phenyl(propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 2371306
[2-(Naphthalen-1-ylamino)-2-oxoethyl] pyridine-4-carboxylate
CID 2389272
[2-(2,5-Dimethylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate
CID 2429249
[2-Oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 4782020
[2-Oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 6-chloropyridine-3-carboxylate
CID 4783367
(2-Oxo-1,2-dihydroquinolin-3-yl)methyl pyridine-3-carboxylate
CID 663730
5-methyl-2-(pyridin-3-yl)-4H-benzo[d][1,3]oxazin-4-one
CID 45267507
Nicotinic acid 2-(2,3-dihydro-indol-1-yl)-2-oxo-ethyl ester
CID 655828
2-Oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl 2-chloropyridine-3-carboxylate
CID 2365118

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] pyridine-3-carboxylate?
The IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] pyridine-3-carboxylate (CID 2385267) is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] pyridine-3-carboxylate.
What is the SMILES notation for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] pyridine-3-carboxylate?
The canonical SMILES for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] pyridine-3-carboxylate is CCN(C(=O)COC(=O)c1cccnc1)c1cccc2ccccc12.
What is the InChIKey of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] pyridine-3-carboxylate?
The InChIKey is XGPJIHQZDGHCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-2-22(18-11-5-8-15-7-3-4-10-17(15)18)19(23)14-25-20(24)16-9-6-12-21-13-16/h3-13H,2,14H2,1H3.
What are the key properties of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] pyridine-3-carboxylate?
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] pyridine-3-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] pyridine-3-carboxylate is sourced from PubChem (CID 2385267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).