N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-amino-3-methoxypropanamide

C13H19N3O3 — CID 120993695

IUPACN-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-amino-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCc1ccc(C(C)=O)c(C)n1
InChIInChI=1S/C13H19N3O3/c1-8-11(9(2)17)5-4-10(16-8)6-15-13(18)12(14)7-19-3/h4-5,12H,6-7,14H2,1-3H3,(H,15,18)
InChIKeyCHNMIDKTJGBAGF-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.18
Rot. Bonds6

About N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-amino-3-methoxypropanamide

N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-amino-3-methoxypropanamide (PubChem CID 120993695) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-amino-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-amino-3-methoxypropanamide
PubChem CID120993695
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-amino-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCc1ccc(C(C)=O)c(C)n1
InChIInChI=1S/C13H19N3O3/c1-8-11(9(2)17)5-4-10(16-8)6-15-13(18)12(14)7-19-3/h4-5,12H,6-7,14H2,1-3H3,(H,15,18)
InChIKeyCHNMIDKTJGBAGF-UHFFFAOYSA-N
XLogP0.18
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-methoxy-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 81088885
2-amino-3-methoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide
CID 120988848
2-amino-3-methoxy-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide
CID 120987280
2-amino-N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 120987230
2-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methoxypropanamide
CID 120992190
2-[[(2-amino-3-methoxypropanoyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277599
2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide
CID 120985346
2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide;hydrochloride
CID 120985345
2-[2-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]acetic acid
CID 81317772
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide
CID 81089217
2-amino-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106396516
N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-5-(aminomethyl)-3-methylfuran-2-carboxamide
CID 166250565

Frequently Asked Questions

What is the IUPAC name of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-amino-3-methoxypropanamide?
The IUPAC name of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-amino-3-methoxypropanamide (CID 120993695) is N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-amino-3-methoxypropanamide.
What is the SMILES notation for N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-amino-3-methoxypropanamide?
The canonical SMILES for N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-amino-3-methoxypropanamide is COCC(N)C(=O)NCc1ccc(C(C)=O)c(C)n1.
What is the InChIKey of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-amino-3-methoxypropanamide?
The InChIKey is CHNMIDKTJGBAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-11(9(2)17)5-4-10(16-8)6-15-13(18)12(14)7-19-3/h4-5,12H,6-7,14H2,1-3H3,(H,15,18).
What are the key properties of N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-amino-3-methoxypropanamide?
N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-amino-3-methoxypropanamide has a molecular weight of 265.31 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-amino-3-methoxypropanamide is sourced from PubChem (CID 120993695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).