N-methylidene-2-pyridin-4-ylacetamide

C8H8N2O — CID 163641230

IUPACN-methylidene-2-pyridin-4-ylacetamide
SMILESC=NC(=O)Cc1ccncc1
InChIInChI=1S/C8H8N2O/c1-9-8(11)6-7-2-4-10-5-3-7/h2-5H,1,6H2
InChIKeyIEKOUWKPHNRDCS-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.85
Rot. Bonds2

About N-methylidene-2-pyridin-4-ylacetamide

N-methylidene-2-pyridin-4-ylacetamide (PubChem CID 163641230) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is N-methylidene-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-methylidene-2-pyridin-4-ylacetamide
PubChem CID163641230
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC NameN-methylidene-2-pyridin-4-ylacetamide
SMILESC=NC(=O)Cc1ccncc1
InChIInChI=1S/C8H8N2O/c1-9-8(11)6-7-2-4-10-5-3-7/h2-5H,1,6H2
InChIKeyIEKOUWKPHNRDCS-UHFFFAOYSA-N
XLogP0.85
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methylidene-2-pyridin-4-ylacetamide?
The IUPAC name of N-methylidene-2-pyridin-4-ylacetamide (CID 163641230) is N-methylidene-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-methylidene-2-pyridin-4-ylacetamide?
The canonical SMILES for N-methylidene-2-pyridin-4-ylacetamide is C=NC(=O)Cc1ccncc1.
What is the InChIKey of N-methylidene-2-pyridin-4-ylacetamide?
The InChIKey is IEKOUWKPHNRDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-9-8(11)6-7-2-4-10-5-3-7/h2-5H,1,6H2.
What are the key properties of N-methylidene-2-pyridin-4-ylacetamide?
N-methylidene-2-pyridin-4-ylacetamide has a molecular weight of 148.16 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-2-pyridin-4-ylacetamide is sourced from PubChem (CID 163641230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).