[2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-4-carboxylate

C18H14N2O3 — CID 2389272

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-4-carboxylate
SMILESO=C(COC(=O)c1ccncc1)Nc1cccc2ccccc12
InChIInChI=1S/C18H14N2O3/c21-17(12-23-18(22)14-8-10-19-11-9-14)20-16-7-3-5-13-4-1-2-6-15(13)16/h1-11H,12H2,(H,20,21)
InChIKeyPRNKNBLGONRUAO-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.03
Rot. Bonds4

About [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-4-carboxylate

[2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-4-carboxylate (PubChem CID 2389272) 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-4-carboxylate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-4-carboxylate
PubChem CID2389272
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-4-carboxylate
SMILESO=C(COC(=O)c1ccncc1)Nc1cccc2ccccc12
InChIInChI=1S/C18H14N2O3/c21-17(12-23-18(22)14-8-10-19-11-9-14)20-16-7-3-5-13-4-1-2-6-15(13)16/h1-11H,12H2,(H,20,21)
InChIKeyPRNKNBLGONRUAO-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

Nicotinic acid naphthalen-1-ylcarbamoylmethyl ester
CID 847692
2-(Naphthalen-1-ylamino)-2-oxoethyl pyridine-2-carboxylate
CID 900761
[2-(2-Acetylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 2418106
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] pyridine-4-carboxylate
CID 2452809
1-(Naphthalen-2-ylamino)-1-oxopropan-2-yl 2-(pyridin-3-yl)quinoline-4-carboxylate
CID 4331428
(7-Methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl pyridine-4-carboxylate
CID 663770
[2-Oxo-2-(3-phenylpropylamino)ethyl] pyridine-4-carboxylate
CID 2118169
[2-(Naphthalen-2-ylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2592145
Nicotinic acid (2-isopropyl-phenylcarbamoyl)-methyl ester
CID 1088668
2-[(2-Methylphenyl)amino]-2-oxoethyl pyridine-3-carboxylate
CID 1088744
[2-Oxo-2-(2,4,6-trimethylanilino)ethyl] pyridine-4-carboxylate
CID 2343045
[2-[Ethyl(naphthalen-1-yl)amino]-2-oxoethyl] pyridine-3-carboxylate
CID 2385267

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-4-carboxylate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-4-carboxylate (CID 2389272) is [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-4-carboxylate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-4-carboxylate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-4-carboxylate is O=C(COC(=O)c1ccncc1)Nc1cccc2ccccc12.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-4-carboxylate?
The InChIKey is PRNKNBLGONRUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-17(12-23-18(22)14-8-10-19-11-9-14)20-16-7-3-5-13-4-1-2-6-15(13)16/h1-11H,12H2,(H,20,21).
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-4-carboxylate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-4-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-4-carboxylate is sourced from PubChem (CID 2389272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).