N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]formamide

C8H10N2O2 — CID 21098583

IUPACN-[2-(2-oxo-1H-pyridin-4-yl)ethyl]formamide
SMILESO=CNCCc1cc[nH]c(=O)c1
InChIInChI=1S/C8H10N2O2/c11-6-9-3-1-7-2-4-10-8(12)5-7/h2,4-6H,1,3H2,(H,9,11)(H,10,12)
InChIKeyXWXUAAPGHQQJEI-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.34
Rot. Bonds4

About N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]formamide

N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]formamide (PubChem CID 21098583) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(2-oxo-1H-pyridin-4-yl)ethyl]formamide
PubChem CID21098583
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC NameN-[2-(2-oxo-1H-pyridin-4-yl)ethyl]formamide
SMILESO=CNCCc1cc[nH]c(=O)c1
InChIInChI=1S/C8H10N2O2/c11-6-9-3-1-7-2-4-10-8(12)5-7/h2,4-6H,1,3H2,(H,9,11)(H,10,12)
InChIKeyXWXUAAPGHQQJEI-UHFFFAOYSA-N
XLogP-0.34
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]formamide?
The IUPAC name of N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]formamide (CID 21098583) is N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]formamide?
The canonical SMILES for N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]formamide is O=CNCCc1cc[nH]c(=O)c1.
What is the InChIKey of N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]formamide?
The InChIKey is XWXUAAPGHQQJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-6-9-3-1-7-2-4-10-8(12)5-7/h2,4-6H,1,3H2,(H,9,11)(H,10,12).
What are the key properties of N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]formamide?
N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]formamide has a molecular weight of 166.18 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-1H-pyridin-4-yl)ethyl]formamide is sourced from PubChem (CID 21098583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).