ethyl 2-propyl-6-pyrazin-2-ylpyridine-3-carboxylate

C15H17N3O2 — CID 116533107

IUPACethyl 2-propyl-6-pyrazin-2-ylpyridine-3-carboxylate
SMILESCCCc1nc(-c2cnccn2)ccc1C(=O)OCC
InChIInChI=1S/C15H17N3O2/c1-3-5-12-11(15(19)20-4-2)6-7-13(18-12)14-10-16-8-9-17-14/h6-10H,3-5H2,1-2H3
InChIKeyFGPIAQIHIOFPMQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.67
Rot. Bonds5

About ethyl 2-propyl-6-pyrazin-2-ylpyridine-3-carboxylate

ethyl 2-propyl-6-pyrazin-2-ylpyridine-3-carboxylate (PubChem CID 116533107) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 2-propyl-6-pyrazin-2-ylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-propyl-6-pyrazin-2-ylpyridine-3-carboxylate
PubChem CID116533107
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Nameethyl 2-propyl-6-pyrazin-2-ylpyridine-3-carboxylate
SMILESCCCc1nc(-c2cnccn2)ccc1C(=O)OCC
InChIInChI=1S/C15H17N3O2/c1-3-5-12-11(15(19)20-4-2)6-7-13(18-12)14-10-16-8-9-17-14/h6-10H,3-5H2,1-2H3
InChIKeyFGPIAQIHIOFPMQ-UHFFFAOYSA-N
XLogP2.67
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Benzyl Nicotinate
CID 7191
(2,2'-Bipyridine)-5,5'-dicarboxylic acid
CID 192744
2,2'-Bipyridine-3,3'-dicarboxylic Acid
CID 681885
Myristyl Nicotinate
CID 531641
Octyl nicotinate
CID 96462
Ethyl 4-(pyridine-3-carbonylamino)benzoate
CID 279888
Hepronicate
CID 3588
6-Phenylnicotinic acid
CID 120118
2,2'-Bipyridine-4-Carboxylic Acid
CID 9942424
4'-(Methoxycarbonyl)-[2,2'-bipyridine]-4-carboxylic acid
CID 25138011
Nicotinic acid, decyl ester
CID 220405
3-Pyridinecarboxylic acid, 5-(benzoylamino)-, ethyl ester
CID 657658

Frequently Asked Questions

What is the IUPAC name of ethyl 2-propyl-6-pyrazin-2-ylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-propyl-6-pyrazin-2-ylpyridine-3-carboxylate (CID 116533107) is ethyl 2-propyl-6-pyrazin-2-ylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-propyl-6-pyrazin-2-ylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-propyl-6-pyrazin-2-ylpyridine-3-carboxylate is CCCc1nc(-c2cnccn2)ccc1C(=O)OCC.
What is the InChIKey of ethyl 2-propyl-6-pyrazin-2-ylpyridine-3-carboxylate?
The InChIKey is FGPIAQIHIOFPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-5-12-11(15(19)20-4-2)6-7-13(18-12)14-10-16-8-9-17-14/h6-10H,3-5H2,1-2H3.
What are the key properties of ethyl 2-propyl-6-pyrazin-2-ylpyridine-3-carboxylate?
ethyl 2-propyl-6-pyrazin-2-ylpyridine-3-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-propyl-6-pyrazin-2-ylpyridine-3-carboxylate is sourced from PubChem (CID 116533107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).