N-(5-formyl-6-methoxy-3-pyridinyl)acetamide

C9H10N2O3 — CID 169112551

IUPACN-(5-formyl-6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ncc(NC(C)=O)cc1C=O
InChIInChI=1S/C9H10N2O3/c1-6(13)11-8-3-7(5-12)9(14-2)10-4-8/h3-5H,1-2H3,(H,11,13)
InChIKeyBPNOQRTXYQUDND-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.86
Rot. Bonds3

About N-(5-formyl-6-methoxy-3-pyridinyl)acetamide

N-(5-formyl-6-methoxy-3-pyridinyl)acetamide (PubChem CID 169112551) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is N-(5-formyl-6-methoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(5-formyl-6-methoxy-3-pyridinyl)acetamide
PubChem CID169112551
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC NameN-(5-formyl-6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ncc(NC(C)=O)cc1C=O
InChIInChI=1S/C9H10N2O3/c1-6(13)11-8-3-7(5-12)9(14-2)10-4-8/h3-5H,1-2H3,(H,11,13)
InChIKeyBPNOQRTXYQUDND-UHFFFAOYSA-N
XLogP0.86
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-amino-3-(5-formyl-6-methoxy-3-pyridinyl)propanoate
CID 123548943
N-(3-fluoro-5-formyl-4-methoxyphenyl)acetamide
CID 84781458
N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide
CID 176938808
5-bromo-2-methoxypyridine-3-carbaldehyde;1,1-dimethoxyethane
CID 87890582
methyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate
CID 86118216
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
N-[4-(3-formyl-4-methoxyphenyl)phenyl]acetamide
CID 58902871
5-fluoro-6-methoxy-4-methylpyridine-3-carbaldehyde
CID 163233411
N-[3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enyl]acetamide
CID 169465531
2-methoxy-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde
CID 146640622
dimethyl 5-formyl-6-methoxypyridine-2,3-dicarboxylate
CID 15672399
tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate
CID 73010774

Frequently Asked Questions

What is the IUPAC name of N-(5-formyl-6-methoxy-3-pyridinyl)acetamide?
The IUPAC name of N-(5-formyl-6-methoxy-3-pyridinyl)acetamide (CID 169112551) is N-(5-formyl-6-methoxy-3-pyridinyl)acetamide.
What is the SMILES notation for N-(5-formyl-6-methoxy-3-pyridinyl)acetamide?
The canonical SMILES for N-(5-formyl-6-methoxy-3-pyridinyl)acetamide is COc1ncc(NC(C)=O)cc1C=O.
What is the InChIKey of N-(5-formyl-6-methoxy-3-pyridinyl)acetamide?
The InChIKey is BPNOQRTXYQUDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-6(13)11-8-3-7(5-12)9(14-2)10-4-8/h3-5H,1-2H3,(H,11,13).
What are the key properties of N-(5-formyl-6-methoxy-3-pyridinyl)acetamide?
N-(5-formyl-6-methoxy-3-pyridinyl)acetamide has a molecular weight of 194.19 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formyl-6-methoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 169112551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).