N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide

C22H28N4O3 — CID 4985607

IUPACN-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCOCCNC(=O)CN(C(=O)c1ccc(N2CCCC2)nc1)c1ccc(C)cc1
InChIInChI=1S/C22H28N4O3/c1-17-5-8-19(9-6-17)26(16-21(27)23-11-14-29-2)22(28)18-7-10-20(24-15-18)25-12-3-4-13-25/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,23,27)
InChIKeyJCLHVKNXVAZNKG-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.40
Rot. Bonds8

About N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 4985607) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID4985607
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCOCCNC(=O)CN(C(=O)c1ccc(N2CCCC2)nc1)c1ccc(C)cc1
InChIInChI=1S/C22H28N4O3/c1-17-5-8-19(9-6-17)26(16-21(27)23-11-14-29-2)22(28)18-7-10-20(24-15-18)25-12-3-4-13-25/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,23,27)
InChIKeyJCLHVKNXVAZNKG-UHFFFAOYSA-N
XLogP2.40
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)-6-pyrrolidin-1-ylpyridine-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

N-(4-methoxyphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 4988764
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 3213426
2-(N,4-diacetylanilino)-N-(2-methoxyethyl)acetamide
CID 113175557
6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 86934182
N-(2-methoxyethyl)-4-(6-thiomorpholin-4-yl-3-pyridinyl)benzamide
CID 53149964
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612
N-(4-hydroxyphenyl)-N-methyl-6-piperidin-1-ylpyridine-3-carboxamide
CID 84570217
6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide
CID 37360268
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780
N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111433799
6-(2-ethylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153328
6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153028

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 4985607) is N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide is COCCNC(=O)CN(C(=O)c1ccc(N2CCCC2)nc1)c1ccc(C)cc1.
What is the InChIKey of N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is JCLHVKNXVAZNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-17-5-8-19(9-6-17)26(16-21(27)23-11-14-29-2)22(28)18-7-10-20(24-15-18)25-12-3-4-13-25/h5-10,15H,3-4,11-14,16H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 4985607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).