6-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-N-(2-phenoxyethyl)pyridine-2-carboxamide

C24H33N5O3 — CID 101365996

IUPAC6-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-N-(2-phenoxyethyl)pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)C1CCN(c2cccc(C(=O)NCCOc3ccccc3)n2)CC1
InChIInChI=1S/C24H33N5O3/c1-28(2)17-13-25-23(30)19-11-15-29(16-12-19)22-10-6-9-21(27-22)24(31)26-14-18-32-20-7-4-3-5-8-20/h3-10,19H,11-18H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyBRTJSYFKMTXTER-UHFFFAOYSA-N
MW439.56 g/mol
LogP1.78
Rot. Bonds10

About 6-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-N-(2-phenoxyethyl)pyridine-2-carboxamide

6-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-N-(2-phenoxyethyl)pyridine-2-carboxamide (PubChem CID 101365996) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is 6-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-N-(2-phenoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-N-(2-phenoxyethyl)pyridine-2-carboxamide
PubChem CID101365996
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC Name6-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-N-(2-phenoxyethyl)pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)C1CCN(c2cccc(C(=O)NCCOc3ccccc3)n2)CC1
InChIInChI=1S/C24H33N5O3/c1-28(2)17-13-25-23(30)19-11-15-29(16-12-19)22-10-6-9-21(27-22)24(31)26-14-18-32-20-7-4-3-5-8-20/h3-10,19H,11-18H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyBRTJSYFKMTXTER-UHFFFAOYSA-N
XLogP1.78
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-N-(2-phenoxyethyl)pyridine-2-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

N-[2-(4-methoxyphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573585
6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 84573830
N-[3-(dimethylamino)propyl]-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573694
1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 16597727
N-[2-(dimethylamino)ethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096318
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118974
N-[2-(N-methylanilino)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134035168
N-[2-(4-tert-butylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792102
N-[2-(dimethylamino)ethyl]-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095413

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-N-(2-phenoxyethyl)pyridine-2-carboxamide?
The IUPAC name of 6-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-N-(2-phenoxyethyl)pyridine-2-carboxamide (CID 101365996) is 6-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-N-(2-phenoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-N-(2-phenoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-N-(2-phenoxyethyl)pyridine-2-carboxamide is CN(C)CCNC(=O)C1CCN(c2cccc(C(=O)NCCOc3ccccc3)n2)CC1.
What is the InChIKey of 6-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-N-(2-phenoxyethyl)pyridine-2-carboxamide?
The InChIKey is BRTJSYFKMTXTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-28(2)17-13-25-23(30)19-11-15-29(16-12-19)22-10-6-9-21(27-22)24(31)26-14-18-32-20-7-4-3-5-8-20/h3-10,19H,11-18H2,1-2H3,(H,25,30)(H,26,31).
What are the key properties of 6-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-N-(2-phenoxyethyl)pyridine-2-carboxamide?
6-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-N-(2-phenoxyethyl)pyridine-2-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 1.78, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-N-(2-phenoxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 101365996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).