N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide

C23H29N3O2 — CID 68619075

IUPACN-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide
SMILESCN(CC1CC(Oc2ccc(CN3CCCC3)cc2)C1)C(=O)c1cccnc1
InChIInChI=1S/C23H29N3O2/c1-25(23(27)20-5-4-10-24-15-20)16-19-13-22(14-19)28-21-8-6-18(7-9-21)17-26-11-2-3-12-26/h4-10,15,19,22H,2-3,11-14,16-17H2,1H3
InChIKeyJEZZOXUHDIEEFG-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.61
Rot. Bonds7

About N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide

N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide (PubChem CID 68619075) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide
PubChem CID68619075
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide
SMILESCN(CC1CC(Oc2ccc(CN3CCCC3)cc2)C1)C(=O)c1cccnc1
InChIInChI=1S/C23H29N3O2/c1-25(23(27)20-5-4-10-24-15-20)16-19-13-22(14-19)28-21-8-6-18(7-9-21)17-26-11-2-3-12-26/h4-10,15,19,22H,2-3,11-14,16-17H2,1H3
InChIKeyJEZZOXUHDIEEFG-UHFFFAOYSA-N
XLogP3.61
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide (CID 68619075) is N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide is CN(CC1CC(Oc2ccc(CN3CCCC3)cc2)C1)C(=O)c1cccnc1.
What is the InChIKey of N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide?
The InChIKey is JEZZOXUHDIEEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-25(23(27)20-5-4-10-24-15-20)16-19-13-22(14-19)28-21-8-6-18(7-9-21)17-26-11-2-3-12-26/h4-10,15,19,22H,2-3,11-14,16-17H2,1H3.
What are the key properties of N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide?
N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 68619075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).