N-[(2-oxo-1H-pyridin-4-yl)methyl]prop-2-enamide

C9H10N2O2 — CID 57312750

IUPACN-[(2-oxo-1H-pyridin-4-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cc[nH]c(=O)c1
InChIInChI=1S/C9H10N2O2/c1-2-8(12)11-6-7-3-4-10-9(13)5-7/h2-5H,1,6H2,(H,10,13)(H,11,12)
InChIKeyQXTCBQXBSKDUJZ-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.18
Rot. Bonds3

About N-[(2-oxo-1H-pyridin-4-yl)methyl]prop-2-enamide

N-[(2-oxo-1H-pyridin-4-yl)methyl]prop-2-enamide (PubChem CID 57312750) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is N-[(2-oxo-1H-pyridin-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(2-oxo-1H-pyridin-4-yl)methyl]prop-2-enamide
PubChem CID57312750
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC NameN-[(2-oxo-1H-pyridin-4-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cc[nH]c(=O)c1
InChIInChI=1S/C9H10N2O2/c1-2-8(12)11-6-7-3-4-10-9(13)5-7/h2-5H,1,6H2,(H,10,13)(H,11,12)
InChIKeyQXTCBQXBSKDUJZ-UHFFFAOYSA-N
XLogP0.18
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1H-pyridin-4-yl)methyl]prop-2-enamide?
The IUPAC name of N-[(2-oxo-1H-pyridin-4-yl)methyl]prop-2-enamide (CID 57312750) is N-[(2-oxo-1H-pyridin-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(2-oxo-1H-pyridin-4-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[(2-oxo-1H-pyridin-4-yl)methyl]prop-2-enamide is C=CC(=O)NCc1cc[nH]c(=O)c1.
What is the InChIKey of N-[(2-oxo-1H-pyridin-4-yl)methyl]prop-2-enamide?
The InChIKey is QXTCBQXBSKDUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-2-8(12)11-6-7-3-4-10-9(13)5-7/h2-5H,1,6H2,(H,10,13)(H,11,12).
What are the key properties of N-[(2-oxo-1H-pyridin-4-yl)methyl]prop-2-enamide?
N-[(2-oxo-1H-pyridin-4-yl)methyl]prop-2-enamide has a molecular weight of 178.19 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1H-pyridin-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 57312750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).