ethyl 6-methyl-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylate

C19H19N5O4 — CID 154835412

IUPACethyl 6-methyl-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C)c(C(=O)NCCc2noc(-c3ccccn3)n2)c1
InChIInChI=1S/C19H19N5O4/c1-3-27-19(26)13-10-14(12(2)22-11-13)17(25)21-9-7-16-23-18(28-24-16)15-6-4-5-8-20-15/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,21,25)
InChIKeyFUISZURWVXVRQN-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.98
Rot. Bonds7

About ethyl 6-methyl-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylate

ethyl 6-methyl-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylate (PubChem CID 154835412) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is ethyl 6-methyl-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylate
PubChem CID154835412
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Nameethyl 6-methyl-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C)c(C(=O)NCCc2noc(-c3ccccn3)n2)c1
InChIInChI=1S/C19H19N5O4/c1-3-27-19(26)13-10-14(12(2)22-11-13)17(25)21-9-7-16-23-18(28-24-16)15-6-4-5-8-20-15/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,21,25)
InChIKeyFUISZURWVXVRQN-UHFFFAOYSA-N
XLogP1.98
TPSA120.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 6-methyl-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

5-fluoro-2-hydroxy-N-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 71975959
(2S)-2-methoxy-2-phenyl-N-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 96999508
1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 115078766
1-(3-ethoxypropyl)-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111763267
2-methyl-1-(2-pyridin-2-ylethyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111762365
2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride
CID 50988726
1-(3-butoxypropyl)-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111763941
2-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111764833
ethyl 5-[(1-hydroxy-2-phenylpropan-2-yl)carbamoyl]-6-methylpyridine-3-carboxylate
CID 167976323
ethyl 5-[[(2R)-2-methoxy-3,3-dimethylbutyl]carbamoyl]-6-methylpyridine-3-carboxylate
CID 97252699
2-methyl-1-(3-phenylpropyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111762693
N-[2-(6-ethoxy-2-pyridinyl)ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 167941235

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-methyl-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylate (CID 154835412) is ethyl 6-methyl-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-methyl-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-methyl-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylate is CCOC(=O)c1cnc(C)c(C(=O)NCCc2noc(-c3ccccn3)n2)c1.
What is the InChIKey of ethyl 6-methyl-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylate?
The InChIKey is FUISZURWVXVRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-3-27-19(26)13-10-14(12(2)22-11-13)17(25)21-9-7-16-23-18(28-24-16)15-6-4-5-8-20-15/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,21,25).
What are the key properties of ethyl 6-methyl-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylate?
ethyl 6-methyl-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylate has a molecular weight of 381.39 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 154835412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).