[2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-3-carboxylate

C18H14N2O3 — CID 847692

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1)Nc1cccc2ccccc12
InChIInChI=1S/C18H14N2O3/c21-17(12-23-18(22)14-7-4-10-19-11-14)20-16-9-3-6-13-5-1-2-8-15(13)16/h1-11H,12H2,(H,20,21)
InChIKeyDHSQRBDXIPHYSL-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.03
Rot. Bonds4

About [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-3-carboxylate

[2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-3-carboxylate (PubChem CID 847692) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-3-carboxylate
PubChem CID847692
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1)Nc1cccc2ccccc12
InChIInChI=1S/C18H14N2O3/c21-17(12-23-18(22)14-7-4-10-19-11-14)20-16-9-3-6-13-5-1-2-8-15(13)16/h1-11H,12H2,(H,20,21)
InChIKeyDHSQRBDXIPHYSL-UHFFFAOYSA-N
XLogP3.03
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-Methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 847689
2-(Naphthalen-1-ylamino)-2-oxoethyl pyridine-2-carboxylate
CID 900761
[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-[4-Nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate
CID 3997482
[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
Nicotinic acid 2-(2,3-dihydro-indol-1-yl)-2-oxo-ethyl ester
CID 655828
Nicotinic acid (4-fluoro-phenylcarbamoyl)-methyl ester
CID 656057
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2430446
[2-(Naphthalen-2-ylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2592145

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-3-carboxylate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-3-carboxylate (CID 847692) is [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-3-carboxylate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-3-carboxylate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-3-carboxylate is O=C(COC(=O)c1cccnc1)Nc1cccc2ccccc12.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-3-carboxylate?
The InChIKey is DHSQRBDXIPHYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-17(12-23-18(22)14-7-4-10-19-11-14)20-16-9-3-6-13-5-1-2-8-15(13)16/h1-11H,12H2,(H,20,21).
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-3-carboxylate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-3-carboxylate has a molecular weight of 306.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-3-carboxylate is sourced from PubChem (CID 847692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).