2-cyano-5-methoxypyridine-4-carboxamide

C8H7N3O2 — CID 13238726

IUPAC2-cyano-5-methoxypyridine-4-carboxamide
SMILESCOc1cnc(C#N)cc1C(N)=O
InChIInChI=1S/C8H7N3O2/c1-13-7-4-11-5(3-9)2-6(7)8(10)12/h2,4H,1H3,(H2,10,12)
InChIKeyPVNRLTHNAFXWPW-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.06
Rot. Bonds2

About 2-cyano-5-methoxypyridine-4-carboxamide

2-cyano-5-methoxypyridine-4-carboxamide (PubChem CID 13238726) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-cyano-5-methoxypyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyano-5-methoxypyridine-4-carboxamide
PubChem CID13238726
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name2-cyano-5-methoxypyridine-4-carboxamide
SMILESCOc1cnc(C#N)cc1C(N)=O
InChIInChI=1S/C8H7N3O2/c1-13-7-4-11-5(3-9)2-6(7)8(10)12/h2,4H,1H3,(H2,10,12)
InChIKeyPVNRLTHNAFXWPW-UHFFFAOYSA-N
XLogP0.06
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-5-methoxypyridine-4-carboxamide?
The IUPAC name of 2-cyano-5-methoxypyridine-4-carboxamide (CID 13238726) is 2-cyano-5-methoxypyridine-4-carboxamide.
What is the SMILES notation for 2-cyano-5-methoxypyridine-4-carboxamide?
The canonical SMILES for 2-cyano-5-methoxypyridine-4-carboxamide is COc1cnc(C#N)cc1C(N)=O.
What is the InChIKey of 2-cyano-5-methoxypyridine-4-carboxamide?
The InChIKey is PVNRLTHNAFXWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-13-7-4-11-5(3-9)2-6(7)8(10)12/h2,4H,1H3,(H2,10,12).
What are the key properties of 2-cyano-5-methoxypyridine-4-carboxamide?
2-cyano-5-methoxypyridine-4-carboxamide has a molecular weight of 177.16 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-5-methoxypyridine-4-carboxamide is sourced from PubChem (CID 13238726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).