N-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide

C20H23N3O4 — CID 109080378

IUPACN-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cc(C(=O)N3CCCC3)ccn2)cc1
InChIInChI=1S/C20H23N3O4/c1-26-16-4-6-17(7-5-16)27-13-10-22-19(24)18-14-15(8-9-21-18)20(25)23-11-2-3-12-23/h4-9,14H,2-3,10-13H2,1H3,(H,22,24)
InChIKeyOURKOXULEJJYJC-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.13
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109080378) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109080378
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cc(C(=O)N3CCCC3)ccn2)cc1
InChIInChI=1S/C20H23N3O4/c1-26-16-4-6-17(7-5-16)27-13-10-22-19(24)18-14-15(8-9-21-18)20(25)23-11-2-3-12-23/h4-9,14H,2-3,10-13H2,1H3,(H,22,24)
InChIKeyOURKOXULEJJYJC-UHFFFAOYSA-N
XLogP2.13
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)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-[(4-methoxyphenyl)methyl]-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081049
4-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide
CID 109209181
4-N-tert-butyl-2-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2,4-dicarboxamide
CID 109089109
N-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208280
N-(3-methoxypropyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081193
4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109083611
N-(3-methoxypropyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082639
4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109084053
4-N-[2-(4-methoxyphenoxy)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083297
N-[2-(4-methoxyphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573585
1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169045
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321602

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (CID 109080378) is N-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is COc1ccc(OCCNC(=O)c2cc(C(=O)N3CCCC3)ccn2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is OURKOXULEJJYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-16-4-6-17(7-5-16)27-13-10-22-19(24)18-14-15(8-9-21-18)20(25)23-11-2-3-12-23/h4-9,14H,2-3,10-13H2,1H3,(H,22,24).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109080378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).