N-(azetidin-3-yl)-6-[3-[(7-methyl-2,3-dihydro-1-benzofuran-6-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide;hydrochloride

C26H32ClN5O3 — CID 67403161

IUPACN-(azetidin-3-yl)-6-[3-[(7-methyl-2,3-dihydro-1-benzofuran-6-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CC3CCC(C2)N3c2ccc(C(=O)NC3CNC3)cn2)ccc2c1OCC2.Cl
InChIInChI=1S/C26H31N5O3.ClH/c1-15-22(6-2-16-8-9-34-24(15)16)26(33)29-18-10-20-4-5-21(11-18)31(20)23-7-3-17(12-28-23)25(32)30-19-13-27-14-19;/h2-3,6-7,12,18-21,27H,4-5,8-11,13-14H2,1H3,(H,29,33)(H,30,32);1H
InChIKeyQBBHAENWQODARQ-UHFFFAOYSA-N
MW498.03 g/mol
LogP2.38
Rot. Bonds5

About N-(azetidin-3-yl)-6-[3-[(7-methyl-2,3-dihydro-1-benzofuran-6-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide;hydrochloride

N-(azetidin-3-yl)-6-[3-[(7-methyl-2,3-dihydro-1-benzofuran-6-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide;hydrochloride (PubChem CID 67403161) has the molecular formula C26H32ClN5O3 and a molecular weight of 498.03 g/mol. Its IUPAC name is N-(azetidin-3-yl)-6-[3-[(7-methyl-2,3-dihydro-1-benzofuran-6-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(azetidin-3-yl)-6-[3-[(7-methyl-2,3-dihydro-1-benzofuran-6-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide;hydrochloride
PubChem CID67403161
Molecular FormulaC26H32ClN5O3
Molecular Weight498.03 g/mol
Exact Mass497.22
IUPAC NameN-(azetidin-3-yl)-6-[3-[(7-methyl-2,3-dihydro-1-benzofuran-6-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CC3CCC(C2)N3c2ccc(C(=O)NC3CNC3)cn2)ccc2c1OCC2.Cl
InChIInChI=1S/C26H31N5O3.ClH/c1-15-22(6-2-16-8-9-34-24(15)16)26(33)29-18-10-20-4-5-21(11-18)31(20)23-7-3-17(12-28-23)25(32)30-19-13-27-14-19;/h2-3,6-7,12,18-21,27H,4-5,8-11,13-14H2,1H3,(H,29,33)(H,30,32);1H
InChIKeyQBBHAENWQODARQ-UHFFFAOYSA-N
XLogP2.38
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.03
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(azetidin-3-yl)-6-[3-[(7-methyl-2,3-dihydro-1-benzofuran-6-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide;hydrochloride 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-(azetidin-3-yl)-6-[3-[(7-methyl-2,3-dihydro-1-benzofuran-6-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(azetidin-3-yl)-6-[3-[(7-methyl-2,3-dihydro-1-benzofuran-6-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide;hydrochloride (CID 67403161) is N-(azetidin-3-yl)-6-[3-[(7-methyl-2,3-dihydro-1-benzofuran-6-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(azetidin-3-yl)-6-[3-[(7-methyl-2,3-dihydro-1-benzofuran-6-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(azetidin-3-yl)-6-[3-[(7-methyl-2,3-dihydro-1-benzofuran-6-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide;hydrochloride is Cc1c(C(=O)NC2CC3CCC(C2)N3c2ccc(C(=O)NC3CNC3)cn2)ccc2c1OCC2.Cl.
What is the InChIKey of N-(azetidin-3-yl)-6-[3-[(7-methyl-2,3-dihydro-1-benzofuran-6-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is QBBHAENWQODARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3.ClH/c1-15-22(6-2-16-8-9-34-24(15)16)26(33)29-18-10-20-4-5-21(11-18)31(20)23-7-3-17(12-28-23)25(32)30-19-13-27-14-19;/h2-3,6-7,12,18-21,27H,4-5,8-11,13-14H2,1H3,(H,29,33)(H,30,32);1H.
What are the key properties of N-(azetidin-3-yl)-6-[3-[(7-methyl-2,3-dihydro-1-benzofuran-6-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide;hydrochloride?
N-(azetidin-3-yl)-6-[3-[(7-methyl-2,3-dihydro-1-benzofuran-6-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 498.03 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-6-[3-[(7-methyl-2,3-dihydro-1-benzofuran-6-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 67403161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).