N-methylacetamide;4-(3-methylcyclohepta-1,3,5-trien-1-yl)oxypyridine

C16H20N2O2 — CID 142867309

IUPACN-methylacetamide;4-(3-methylcyclohepta-1,3,5-trien-1-yl)oxypyridine
SMILESCC1=CC=CCC(Oc2ccncc2)=C1.CNC(C)=O
InChIInChI=1S/C13H13NO.C3H7NO/c1-11-4-2-3-5-13(10-11)15-12-6-8-14-9-7-12;1-3(5)4-2/h2-4,6-10H,5H2,1H3;1-2H3,(H,4,5)
InChIKeyXGPOCOOPZNTXOG-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.00
Rot. Bonds2

About N-methylacetamide;4-(3-methylcyclohepta-1,3,5-trien-1-yl)oxypyridine

N-methylacetamide;4-(3-methylcyclohepta-1,3,5-trien-1-yl)oxypyridine (PubChem CID 142867309) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-methylacetamide;4-(3-methylcyclohepta-1,3,5-trien-1-yl)oxypyridine.

Molecular Properties

Compound NameN-methylacetamide;4-(3-methylcyclohepta-1,3,5-trien-1-yl)oxypyridine
PubChem CID142867309
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-methylacetamide;4-(3-methylcyclohepta-1,3,5-trien-1-yl)oxypyridine
SMILESCC1=CC=CCC(Oc2ccncc2)=C1.CNC(C)=O
InChIInChI=1S/C13H13NO.C3H7NO/c1-11-4-2-3-5-13(10-11)15-12-6-8-14-9-7-12;1-3(5)4-2/h2-4,6-10H,5H2,1H3;1-2H3,(H,4,5)
InChIKeyXGPOCOOPZNTXOG-UHFFFAOYSA-N
XLogP3.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methylacetamide;4-(3-methylcyclohepta-1,3,5-trien-1-yl)oxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2(1H)-Pyridinone, 5-ethyl-3-(((4-methoxy-3-pyridinyl)methyl)amino)-6-methyl-
CID 454365
4-Ethoxypyridine
CID 141781
4-Acetoxypyridine
CID 311756
US11045457, Example 50
CID 146401967
3-Methyl-4-(piperidin-4-yloxy)pyridine
CID 57753844
(4-Methoxypyridin-3-yl)methanamine
CID 57885707
2-(Pyridin-4-yloxy)ethan-1-amine dihydrochloride
CID 84819422
4-Allyloxypyridine
CID 287444
4-(Piperidin-4-yloxy)pyridine
CID 5152155
N-Propyl-4-[2-(pyridin-4-yloxy)ethyl]piperidine-1-carboxamide
CID 53150981
N-isobutyl-4-[2-(4-pyridyloxy)ethyl]tetrahydro-1(2H)-pyridinecarboxamide
CID 53150984
4-Isopropoxypyridine
CID 4527576

Frequently Asked Questions

What is the IUPAC name of N-methylacetamide;4-(3-methylcyclohepta-1,3,5-trien-1-yl)oxypyridine?
The IUPAC name of N-methylacetamide;4-(3-methylcyclohepta-1,3,5-trien-1-yl)oxypyridine (CID 142867309) is N-methylacetamide;4-(3-methylcyclohepta-1,3,5-trien-1-yl)oxypyridine.
What is the SMILES notation for N-methylacetamide;4-(3-methylcyclohepta-1,3,5-trien-1-yl)oxypyridine?
The canonical SMILES for N-methylacetamide;4-(3-methylcyclohepta-1,3,5-trien-1-yl)oxypyridine is CC1=CC=CCC(Oc2ccncc2)=C1.CNC(C)=O.
What is the InChIKey of N-methylacetamide;4-(3-methylcyclohepta-1,3,5-trien-1-yl)oxypyridine?
The InChIKey is XGPOCOOPZNTXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO.C3H7NO/c1-11-4-2-3-5-13(10-11)15-12-6-8-14-9-7-12;1-3(5)4-2/h2-4,6-10H,5H2,1H3;1-2H3,(H,4,5).
What are the key properties of N-methylacetamide;4-(3-methylcyclohepta-1,3,5-trien-1-yl)oxypyridine?
N-methylacetamide;4-(3-methylcyclohepta-1,3,5-trien-1-yl)oxypyridine has a molecular weight of 272.35 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylacetamide;4-(3-methylcyclohepta-1,3,5-trien-1-yl)oxypyridine is sourced from PubChem (CID 142867309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).