2-(2-methoxyethoxy)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide

C23H31N3O3 — CID 60566725

IUPAC2-(2-methoxyethoxy)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESCOCCOc1ncccc1C(=O)NCc1ccccc1CN1CCC(C)CC1
InChIInChI=1S/C23H31N3O3/c1-18-9-12-26(13-10-18)17-20-7-4-3-6-19(20)16-25-22(27)21-8-5-11-24-23(21)29-15-14-28-2/h3-8,11,18H,9-10,12-17H2,1-2H3,(H,25,27)
InChIKeyKTLPARABUUJJCV-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.27
Rot. Bonds9

About 2-(2-methoxyethoxy)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide

2-(2-methoxyethoxy)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 60566725) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
PubChem CID60566725
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name2-(2-methoxyethoxy)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESCOCCOc1ncccc1C(=O)NCc1ccccc1CN1CCC(C)CC1
InChIInChI=1S/C23H31N3O3/c1-18-9-12-26(13-10-18)17-20-7-4-3-6-19(20)16-25-22(27)21-8-5-11-24-23(21)29-15-14-28-2/h3-8,11,18H,9-10,12-17H2,1-2H3,(H,25,27)
InChIKeyKTLPARABUUJJCV-UHFFFAOYSA-N
XLogP3.27
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyethoxy)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]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

Related Compounds

2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46476891
6-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60513495
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
1-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008847
N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 136579147
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
4-bromo-5-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 55885338
3-[(4-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 55145932
2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 46469858
1,5-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide
CID 55715573
2-(methylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845171
2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 91660317

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide (CID 60566725) is 2-(2-methoxyethoxy)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide is COCCOc1ncccc1C(=O)NCc1ccccc1CN1CCC(C)CC1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is KTLPARABUUJJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-18-9-12-26(13-10-18)17-20-7-4-3-6-19(20)16-25-22(27)21-8-5-11-24-23(21)29-15-14-28-2/h3-8,11,18H,9-10,12-17H2,1-2H3,(H,25,27).
What are the key properties of 2-(2-methoxyethoxy)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide?
2-(2-methoxyethoxy)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 60566725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).