ethyl 5-(3-acetylanilino)pyridine-3-carboxylate

C16H16N2O3 — CID 82535061

IUPACethyl 5-(3-acetylanilino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C16H16N2O3/c1-3-21-16(20)13-8-15(10-17-9-13)18-14-6-4-5-12(7-14)11(2)19/h4-10,18H,3H2,1-2H3
InChIKeyHDSMUVHQBMGTTQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.20
Rot. Bonds5

About ethyl 5-(3-acetylanilino)pyridine-3-carboxylate

ethyl 5-(3-acetylanilino)pyridine-3-carboxylate (PubChem CID 82535061) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is ethyl 5-(3-acetylanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-acetylanilino)pyridine-3-carboxylate
PubChem CID82535061
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Nameethyl 5-(3-acetylanilino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C16H16N2O3/c1-3-21-16(20)13-8-15(10-17-9-13)18-14-6-4-5-12(7-14)11(2)19/h4-10,18H,3H2,1-2H3
InChIKeyHDSMUVHQBMGTTQ-UHFFFAOYSA-N
XLogP3.20
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-ethoxycarbonyl-3-pyridinyl)amino]benzoic acid
CID 82535045
ethyl 5-(3-chloroanilino)pyridine-3-carboxylate
CID 82535073
ethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate
CID 82535099
ethyl 4-[5-(3-acetylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109238322
methyl 3-[[5-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245797
ethyl 5-hydrazinylpyridine-3-carboxylate
CID 112757253
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-acetylbenzoate
CID 11298463
ethyl 5-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyridine-3-carboxylate
CID 82535023
ethyl 3-(3-chloroanilino)benzoate
CID 82535753
5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245209
ethyl 5-(tert-butylamino)pyridine-3-carboxylate
CID 82535159

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-acetylanilino)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(3-acetylanilino)pyridine-3-carboxylate (CID 82535061) is ethyl 5-(3-acetylanilino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(3-acetylanilino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(3-acetylanilino)pyridine-3-carboxylate is CCOC(=O)c1cncc(Nc2cccc(C(C)=O)c2)c1.
What is the InChIKey of ethyl 5-(3-acetylanilino)pyridine-3-carboxylate?
The InChIKey is HDSMUVHQBMGTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-3-21-16(20)13-8-15(10-17-9-13)18-14-6-4-5-12(7-14)11(2)19/h4-10,18H,3H2,1-2H3.
What are the key properties of ethyl 5-(3-acetylanilino)pyridine-3-carboxylate?
ethyl 5-(3-acetylanilino)pyridine-3-carboxylate has a molecular weight of 284.32 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-acetylanilino)pyridine-3-carboxylate is sourced from PubChem (CID 82535061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).