5-(cyanomethoxy)pyridine-2-carboxamide

C8H7N3O2 — CID 142745503

IUPAC5-(cyanomethoxy)pyridine-2-carboxamide
SMILESN#CCOc1ccc(C(N)=O)nc1
InChIInChI=1S/C8H7N3O2/c9-3-4-13-6-1-2-7(8(10)12)11-5-6/h1-2,5H,4H2,(H2,10,12)
InChIKeyKKDQKFXODHDQNJ-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.08
Rot. Bonds3

About 5-(cyanomethoxy)pyridine-2-carboxamide

5-(cyanomethoxy)pyridine-2-carboxamide (PubChem CID 142745503) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 5-(cyanomethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(cyanomethoxy)pyridine-2-carboxamide
PubChem CID142745503
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name5-(cyanomethoxy)pyridine-2-carboxamide
SMILESN#CCOc1ccc(C(N)=O)nc1
InChIInChI=1S/C8H7N3O2/c9-3-4-13-6-1-2-7(8(10)12)11-5-6/h1-2,5H,4H2,(H2,10,12)
InChIKeyKKDQKFXODHDQNJ-UHFFFAOYSA-N
XLogP0.08
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(diethylamino)propoxy]pyridine-2-carboxamide
CID 70024407
5-(3-cyanopropoxy)pyridine-2-carboxylic acid
CID 79794689
5-but-2-ynoxypyridine-2-carboxylic acid
CID 67979507
5-but-2-ynoxypyridine-2-carboxylate
CID 86728160
1-[[4-(cyanomethoxy)-2-methylphenyl]methyl]pyrazole-4-carboxamide
CID 174751825
5-(18F)fluoropyridine-2-carboxamide
CID 11607925
5-[2-(2-cyanoethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79795043
4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide
CID 26114223
2-[4-(2-methylpropanoyl)phenoxy]acetonitrile
CID 82076680
methyl 2-[[4-(cyanomethoxy)phenyl]methylamino]propanoate
CID 60781956
5-(3-cyano-3-methylbutoxy)pyridine-2-carboxylic acid
CID 79794074
N-[4-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 30874024

Frequently Asked Questions

What is the IUPAC name of 5-(cyanomethoxy)pyridine-2-carboxamide?
The IUPAC name of 5-(cyanomethoxy)pyridine-2-carboxamide (CID 142745503) is 5-(cyanomethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 5-(cyanomethoxy)pyridine-2-carboxamide?
The canonical SMILES for 5-(cyanomethoxy)pyridine-2-carboxamide is N#CCOc1ccc(C(N)=O)nc1.
What is the InChIKey of 5-(cyanomethoxy)pyridine-2-carboxamide?
The InChIKey is KKDQKFXODHDQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-3-4-13-6-1-2-7(8(10)12)11-5-6/h1-2,5H,4H2,(H2,10,12).
What are the key properties of 5-(cyanomethoxy)pyridine-2-carboxamide?
5-(cyanomethoxy)pyridine-2-carboxamide has a molecular weight of 177.16 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyanomethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 142745503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).