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

C18H14N2O3 — CID 900761

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)Nc1cccc2ccccc12
InChIInChI=1S/C18H14N2O3/c21-17(12-23-18(22)16-9-3-4-11-19-16)20-15-10-5-7-13-6-1-2-8-14(13)15/h1-11H,12H2,(H,20,21)
InChIKeySBBAHRHOQZANPD-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.03
Rot. Bonds4

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

[2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 900761) 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-2-carboxylate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-2-carboxylate
PubChem CID900761
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)Nc1cccc2ccccc12
InChIInChI=1S/C18H14N2O3/c21-17(12-23-18(22)16-9-3-4-11-19-16)20-15-10-5-7-13-6-1-2-8-14(13)15/h1-11H,12H2,(H,20,21)
InChIKeySBBAHRHOQZANPD-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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Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-2-carboxylate (CID 900761) is [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-2-carboxylate is O=C(COC(=O)c1ccccn1)Nc1cccc2ccccc12.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is SBBAHRHOQZANPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-17(12-23-18(22)16-9-3-4-11-19-16)20-15-10-5-7-13-6-1-2-8-14(13)15/h1-11H,12H2,(H,20,21).
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-2-carboxylate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] pyridine-2-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-2-carboxylate is sourced from PubChem (CID 900761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).