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

C13H16N2O3 — CID 138989298

IUPACN-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-prop-2-ynoxypropanamide
SMILESC#CCOCCC(=O)NCc1cc(C)[nH]c(=O)c1
InChIInChI=1S/C13H16N2O3/c1-3-5-18-6-4-12(16)14-9-11-7-10(2)15-13(17)8-11/h1,7-8H,4-6,9H2,2H3,(H,14,16)(H,15,17)
InChIKeyWABFQHOULJWBEX-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.34
Rot. Bonds6

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

N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-prop-2-ynoxypropanamide (PubChem CID 138989298) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-prop-2-ynoxypropanamide.

Molecular Properties

Compound NameN-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-prop-2-ynoxypropanamide
PubChem CID138989298
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-prop-2-ynoxypropanamide
SMILESC#CCOCCC(=O)NCc1cc(C)[nH]c(=O)c1
InChIInChI=1S/C13H16N2O3/c1-3-5-18-6-4-12(16)14-9-11-7-10(2)15-13(17)8-11/h1,7-8H,4-6,9H2,2H3,(H,14,16)(H,15,17)
InChIKeyWABFQHOULJWBEX-UHFFFAOYSA-N
XLogP0.34
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-6-oxo-1H-pyridin-4-yl)methylcarbamic acid
CID 89156508
N-(2-hydroxy-3-methylbutyl)-3-prop-2-ynoxypropanamide
CID 109478558
N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-3-prop-2-ynoxypropanamide
CID 146368927
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(2-prop-2-ynoxyethoxy)propanamide
CID 172937368
N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide
CID 154844282
CID 176955615
CID 176955615
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-prop-2-ynoxypropanamide
CID 109476951
3-[3-[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2,2-bis[[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 167313088
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 138710366
N-(3-hydroxy-3-phenylpropyl)-3-prop-2-ynoxypropanamide
CID 109476501
N-[2-[4-(3,5-dioxo-1,2,4-triazolidin-4-yl)-2-methoxyphenoxy]ethyl]-3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanamide
CID 146026223
2-[2-[2-[2-[2-[2-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium chloride
CID 138542496

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-prop-2-ynoxypropanamide?
The IUPAC name of N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-prop-2-ynoxypropanamide (CID 138989298) is N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-prop-2-ynoxypropanamide.
What is the SMILES notation for N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-prop-2-ynoxypropanamide?
The canonical SMILES for N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-prop-2-ynoxypropanamide is C#CCOCCC(=O)NCc1cc(C)[nH]c(=O)c1.
What is the InChIKey of N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-prop-2-ynoxypropanamide?
The InChIKey is WABFQHOULJWBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-5-18-6-4-12(16)14-9-11-7-10(2)15-13(17)8-11/h1,7-8H,4-6,9H2,2H3,(H,14,16)(H,15,17).
What are the key properties of N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-prop-2-ynoxypropanamide?
N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-prop-2-ynoxypropanamide has a molecular weight of 248.28 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]-3-prop-2-ynoxypropanamide is sourced from PubChem (CID 138989298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).