4-(2-cyanoacetyl)pyridine-2-carboxamide

C9H7N3O2 — CID 173083339

IUPAC4-(2-cyanoacetyl)pyridine-2-carboxamide
SMILESN#CCC(=O)c1ccnc(C(N)=O)c1
InChIInChI=1S/C9H7N3O2/c10-3-1-8(13)6-2-4-12-7(5-6)9(11)14/h2,4-5H,1H2,(H2,11,14)
InChIKeyANQFOJFODDYUGI-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.28
Rot. Bonds3

About 4-(2-cyanoacetyl)pyridine-2-carboxamide

4-(2-cyanoacetyl)pyridine-2-carboxamide (PubChem CID 173083339) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-(2-cyanoacetyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-cyanoacetyl)pyridine-2-carboxamide
PubChem CID173083339
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name4-(2-cyanoacetyl)pyridine-2-carboxamide
SMILESN#CCC(=O)c1ccnc(C(N)=O)c1
InChIInChI=1S/C9H7N3O2/c10-3-1-8(13)6-2-4-12-7(5-6)9(11)14/h2,4-5H,1H2,(H2,11,14)
InChIKeyANQFOJFODDYUGI-UHFFFAOYSA-N
XLogP0.28
TPSA96.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanoacetyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2-cyanoacetyl)pyridine-2-carboxamide (CID 173083339) is 4-(2-cyanoacetyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-cyanoacetyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-cyanoacetyl)pyridine-2-carboxamide is N#CCC(=O)c1ccnc(C(N)=O)c1.
What is the InChIKey of 4-(2-cyanoacetyl)pyridine-2-carboxamide?
The InChIKey is ANQFOJFODDYUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c10-3-1-8(13)6-2-4-12-7(5-6)9(11)14/h2,4-5H,1H2,(H2,11,14).
What are the key properties of 4-(2-cyanoacetyl)pyridine-2-carboxamide?
4-(2-cyanoacetyl)pyridine-2-carboxamide has a molecular weight of 189.17 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanoacetyl)pyridine-2-carboxamide is sourced from PubChem (CID 173083339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).