N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-methoxypropanamide

C13H18N2O3 — CID 84594477

IUPACN-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)NCc1ccc(C(C)=O)c(C)n1
InChIInChI=1S/C13H18N2O3/c1-8-12(9(2)16)6-5-11(15-8)7-14-13(17)10(3)18-4/h5-6,10H,7H2,1-4H3,(H,14,17)
InChIKeyBQEVQYFNLQPELY-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.24
Rot. Bonds5

About N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-methoxypropanamide

N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-methoxypropanamide (PubChem CID 84594477) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-methoxypropanamide
PubChem CID84594477
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)NCc1ccc(C(C)=O)c(C)n1
InChIInChI=1S/C13H18N2O3/c1-8-12(9(2)16)6-5-11(15-8)7-14-13(17)10(3)18-4/h5-6,10H,7H2,1-4H3,(H,14,17)
InChIKeyBQEVQYFNLQPELY-UHFFFAOYSA-N
XLogP1.24
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-methoxypropanamide?
The IUPAC name of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-methoxypropanamide (CID 84594477) is N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-methoxypropanamide.
What is the SMILES notation for N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-methoxypropanamide?
The canonical SMILES for N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-methoxypropanamide is COC(C)C(=O)NCc1ccc(C(C)=O)c(C)n1.
What is the InChIKey of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-methoxypropanamide?
The InChIKey is BQEVQYFNLQPELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-12(9(2)16)6-5-11(15-8)7-14-13(17)10(3)18-4/h5-6,10H,7H2,1-4H3,(H,14,17).
What are the key properties of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-methoxypropanamide?
N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-methoxypropanamide has a molecular weight of 250.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-methoxypropanamide is sourced from PubChem (CID 84594477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).