N-methyl-N-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]cyclobutyl]acetamide

C21H28N4O3 — CID 137364349

IUPACN-methyl-N-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]cyclobutyl]acetamide
SMILESCC(=O)N(C)C1CC(COc2ccc(-c3ccnn3C3CCCCO3)nc2)C1
InChIInChI=1S/C21H28N4O3/c1-15(26)24(2)17-11-16(12-17)14-28-18-6-7-19(22-13-18)20-8-9-23-25(20)21-5-3-4-10-27-21/h6-9,13,16-17,21H,3-5,10-12,14H2,1-2H3
InChIKeyVJZIZGBSCSSVOF-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.28
Rot. Bonds6

About N-methyl-N-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]cyclobutyl]acetamide

N-methyl-N-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]cyclobutyl]acetamide (PubChem CID 137364349) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-methyl-N-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]cyclobutyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]cyclobutyl]acetamide
PubChem CID137364349
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-methyl-N-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]cyclobutyl]acetamide
SMILESCC(=O)N(C)C1CC(COc2ccc(-c3ccnn3C3CCCCO3)nc2)C1
InChIInChI=1S/C21H28N4O3/c1-15(26)24(2)17-11-16(12-17)14-28-18-6-7-19(22-13-18)20-8-9-23-25(20)21-5-3-4-10-27-21/h6-9,13,16-17,21H,3-5,10-12,14H2,1-2H3
InChIKeyVJZIZGBSCSSVOF-UHFFFAOYSA-N
XLogP3.28
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]cyclobutyl]acetamide 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

5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
CID 130360539
3-amino-1-[(3R)-3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]piperidin-1-yl]propan-1-one
CID 130360188
N,N-dimethyl-4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzenesulfonamide
CID 137364312
4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]butan-1-amine
CID 142526707
2-methyl-5-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenol
CID 142526925
N-methylsulfonyl-6-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]hexanamide
CID 142526681
methyl 2-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]phenyl]acetate
CID 142527037
ethyl 2-methyl-2-[7-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]heptoxy]propanoate
CID 142527020
4-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]benzaldehyde
CID 142526728
methyl 2-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]prop-1-ynyl]pyridine-4-carboxylate
CID 142526877
bis[3-carbamoyl-7-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxy]heptan-2-yl] carbonate
CID 146658429
5-[(3-bromophenyl)methoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
CID 130360847

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]cyclobutyl]acetamide?
The IUPAC name of N-methyl-N-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]cyclobutyl]acetamide (CID 137364349) is N-methyl-N-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]cyclobutyl]acetamide.
What is the SMILES notation for N-methyl-N-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]cyclobutyl]acetamide?
The canonical SMILES for N-methyl-N-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]cyclobutyl]acetamide is CC(=O)N(C)C1CC(COc2ccc(-c3ccnn3C3CCCCO3)nc2)C1.
What is the InChIKey of N-methyl-N-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]cyclobutyl]acetamide?
The InChIKey is VJZIZGBSCSSVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15(26)24(2)17-11-16(12-17)14-28-18-6-7-19(22-13-18)20-8-9-23-25(20)21-5-3-4-10-27-21/h6-9,13,16-17,21H,3-5,10-12,14H2,1-2H3.
What are the key properties of N-methyl-N-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]cyclobutyl]acetamide?
N-methyl-N-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]cyclobutyl]acetamide has a molecular weight of 384.48 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[[6-[2-(oxan-2-yl)pyrazol-3-yl]-3-pyridinyl]oxymethyl]cyclobutyl]acetamide is sourced from PubChem (CID 137364349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).