3-[(3-acetyl-4-methoxy-2-pyridinyl)oxy]propylcarbamic acid

C12H16N2O5 — CID 170343077

IUPAC3-[(3-acetyl-4-methoxy-2-pyridinyl)oxy]propylcarbamic acid
SMILESCOc1ccnc(OCCCNC(=O)O)c1C(C)=O
InChIInChI=1S/C12H16N2O5/c1-8(15)10-9(18-2)4-6-13-11(10)19-7-3-5-14-12(16)17/h4,6,14H,3,5,7H2,1-2H3,(H,16,17)
InChIKeyRGYGKBLZHRAXKH-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.33
Rot. Bonds7

About 3-[(3-acetyl-4-methoxy-2-pyridinyl)oxy]propylcarbamic acid

3-[(3-acetyl-4-methoxy-2-pyridinyl)oxy]propylcarbamic acid (PubChem CID 170343077) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-[(3-acetyl-4-methoxy-2-pyridinyl)oxy]propylcarbamic acid.

Molecular Properties

Compound Name3-[(3-acetyl-4-methoxy-2-pyridinyl)oxy]propylcarbamic acid
PubChem CID170343077
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name3-[(3-acetyl-4-methoxy-2-pyridinyl)oxy]propylcarbamic acid
SMILESCOc1ccnc(OCCCNC(=O)O)c1C(C)=O
InChIInChI=1S/C12H16N2O5/c1-8(15)10-9(18-2)4-6-13-11(10)19-7-3-5-14-12(16)17/h4,6,14H,3,5,7H2,1-2H3,(H,16,17)
InChIKeyRGYGKBLZHRAXKH-UHFFFAOYSA-N
XLogP1.33
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-acetyl-4-methoxy-1H-pyridin-2-one;3-[(3-acetyl-4-methoxy-2-pyridinyl)oxy]propylcarbamic acid
CID 170343076
tert-butyl N-[3-[[3-(2-cyanoacetyl)-4-methoxy-2-pyridinyl]oxy]propyl]carbamate
CID 163407470
1-(4-methoxy-3-methyl-2-pyridinyl)ethanone
CID 84652084
N-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088900
2,4-dimethoxypyridine-3-carboxamide
CID 22356790
2-(4-acetylphenoxy)ethylcarbamic acid
CID 69331429
4-trimethoxysilylbutylcarbamic acid
CID 18755644
1-(2-iodo-6-methoxy-3-methylphenyl)ethanone
CID 171010641
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635
3-(4-aminophenoxy)propylcarbamic acid
CID 22640978
3-(3,4-dichlorophenoxy)propylcarbamic acid
CID 89477736
3-hydroxy-4-methoxy-N-(2-phenylethyl)pyridine-2-carboxamide
CID 21088902

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetyl-4-methoxy-2-pyridinyl)oxy]propylcarbamic acid?
The IUPAC name of 3-[(3-acetyl-4-methoxy-2-pyridinyl)oxy]propylcarbamic acid (CID 170343077) is 3-[(3-acetyl-4-methoxy-2-pyridinyl)oxy]propylcarbamic acid.
What is the SMILES notation for 3-[(3-acetyl-4-methoxy-2-pyridinyl)oxy]propylcarbamic acid?
The canonical SMILES for 3-[(3-acetyl-4-methoxy-2-pyridinyl)oxy]propylcarbamic acid is COc1ccnc(OCCCNC(=O)O)c1C(C)=O.
What is the InChIKey of 3-[(3-acetyl-4-methoxy-2-pyridinyl)oxy]propylcarbamic acid?
The InChIKey is RGYGKBLZHRAXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-8(15)10-9(18-2)4-6-13-11(10)19-7-3-5-14-12(16)17/h4,6,14H,3,5,7H2,1-2H3,(H,16,17).
What are the key properties of 3-[(3-acetyl-4-methoxy-2-pyridinyl)oxy]propylcarbamic acid?
3-[(3-acetyl-4-methoxy-2-pyridinyl)oxy]propylcarbamic acid has a molecular weight of 268.27 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetyl-4-methoxy-2-pyridinyl)oxy]propylcarbamic acid is sourced from PubChem (CID 170343077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).