N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]prop-2-enamide

C11H14N2O2 — CID 123414627

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C11H14N2O2/c1-4-10(14)12-6-9-7(2)5-8(3)13-11(9)15/h4-5H,1,6H2,2-3H3,(H,12,14)(H,13,15)
InChIKeyPUGPWTKBQGMQCN-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.79
Rot. Bonds3

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]prop-2-enamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]prop-2-enamide (PubChem CID 123414627) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]prop-2-enamide
PubChem CID123414627
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C11H14N2O2/c1-4-10(14)12-6-9-7(2)5-8(3)13-11(9)15/h4-5H,1,6H2,2-3H3,(H,12,14)(H,13,15)
InChIKeyPUGPWTKBQGMQCN-UHFFFAOYSA-N
XLogP0.79
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.79
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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Related Compounds

2(1H)-Pyridinone, 5-ethyl-3-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-6-methyl-
CID 454341
3-Pyridinecarboxamide, 1,2-dihydro-4,6-dimethyl-2-oxo-
CID 3016040
3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one
CID 7063844
6-hydroxy-N-methylmyosmine
CID 52944012
6-hydroxy-N-methylmyosmine(1+)
CID 91820593
3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride
CID 43810451
6-acetyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-one
CID 71801565
3-(Aminomethyl)-6-methyl-4-propylpyridin-2(1H)-oneacetate
CID 67124140
2-Oxo-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carboxamide
CID 91623838
2-oxo-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyridine-3-carboxamide
CID 47256613
Sarmentosamide
CID 139584912
6-methyl-2-oxo-1H-pyridine-3,4-dicarboxamide
CID 280063

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]prop-2-enamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]prop-2-enamide (CID 123414627) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]prop-2-enamide is C=CC(=O)NCc1c(C)cc(C)[nH]c1=O.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]prop-2-enamide?
The InChIKey is PUGPWTKBQGMQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-4-10(14)12-6-9-7(2)5-8(3)13-11(9)15/h4-5H,1,6H2,2-3H3,(H,12,14)(H,13,15).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]prop-2-enamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]prop-2-enamide has a molecular weight of 206.24 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]prop-2-enamide is sourced from PubChem (CID 123414627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).