ethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate

C13H13N3O2 — CID 82535099

IUPACethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(Nc2ccncc2)c1
InChIInChI=1S/C13H13N3O2/c1-2-18-13(17)10-7-12(9-15-8-10)16-11-3-5-14-6-4-11/h3-9H,2H2,1H3,(H,14,16)
InChIKeyJAYDNWPQPCUEKX-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.40
Rot. Bonds4

About ethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate

ethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate (PubChem CID 82535099) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is ethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate
PubChem CID82535099
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Nameethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(Nc2ccncc2)c1
InChIInChI=1S/C13H13N3O2/c1-2-18-13(17)10-7-12(9-15-8-10)16-11-3-5-14-6-4-11/h3-9H,2H2,1H3,(H,14,16)
InChIKeyJAYDNWPQPCUEKX-UHFFFAOYSA-N
XLogP2.40
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-(3-acetylanilino)pyridine-3-carboxylate
CID 82535061
ethyl 4-[[5-(pyridin-4-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109235609
3-[(5-ethoxycarbonyl-3-pyridinyl)amino]benzoic acid
CID 82535045
ethyl 5-hydrazinylpyridine-3-carboxylate
CID 112757253
ethyl 5-(3-chloroanilino)pyridine-3-carboxylate
CID 82535073
ethyl 5-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyridine-3-carboxylate
CID 82535023
ethyl 5-(tert-butylamino)pyridine-3-carboxylate
CID 82535159
ethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109227795
ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109244137
ethyl 5-[(4-methoxycarbonylphenyl)methylamino]pyridine-3-carboxylate
CID 110453092
ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate
CID 143301188
ethane;ethyl 5-ethylpyridine-3-carboxylate
CID 143600657

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate (CID 82535099) is ethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate is CCOC(=O)c1cncc(Nc2ccncc2)c1.
What is the InChIKey of ethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate?
The InChIKey is JAYDNWPQPCUEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-2-18-13(17)10-7-12(9-15-8-10)16-11-3-5-14-6-4-11/h3-9H,2H2,1H3,(H,14,16).
What are the key properties of ethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate?
ethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate has a molecular weight of 243.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate is sourced from PubChem (CID 82535099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).