N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methoxyphenyl)-N-pyridin-2-ylbutanediamide

C21H26N4O5 — CID 3205197

IUPACN'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methoxyphenyl)-N-pyridin-2-ylbutanediamide
SMILESCOCCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(OC)cc1
InChIInChI=1S/C21H26N4O5/c1-29-14-13-23-20(27)15-25(16-6-8-17(30-2)9-7-16)21(28)11-10-19(26)24-18-5-3-4-12-22-18/h3-9,12H,10-11,13-15H2,1-2H3,(H,23,27)(H,22,24,26)
InChIKeyCOULGBPXAKWGNW-UHFFFAOYSA-N
MW414.46 g/mol
LogP1.60
Rot. Bonds11

About N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methoxyphenyl)-N-pyridin-2-ylbutanediamide

N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methoxyphenyl)-N-pyridin-2-ylbutanediamide (PubChem CID 3205197) has the molecular formula C21H26N4O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methoxyphenyl)-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methoxyphenyl)-N-pyridin-2-ylbutanediamide
PubChem CID3205197
Molecular FormulaC21H26N4O5
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC NameN'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methoxyphenyl)-N-pyridin-2-ylbutanediamide
SMILESCOCCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(OC)cc1
InChIInChI=1S/C21H26N4O5/c1-29-14-13-23-20(27)15-25(16-6-8-17(30-2)9-7-16)21(28)11-10-19(26)24-18-5-3-4-12-22-18/h3-9,12H,10-11,13-15H2,1-2H3,(H,23,27)(H,22,24,26)
InChIKeyCOULGBPXAKWGNW-UHFFFAOYSA-N
XLogP1.60
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methoxyphenyl)-N-pyridin-2-ylbutanediamide 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'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methoxyphenyl)-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methoxyphenyl)-N-pyridin-2-ylbutanediamide (CID 3205197) is N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methoxyphenyl)-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methoxyphenyl)-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methoxyphenyl)-N-pyridin-2-ylbutanediamide is COCCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(OC)cc1.
What is the InChIKey of N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methoxyphenyl)-N-pyridin-2-ylbutanediamide?
The InChIKey is COULGBPXAKWGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5/c1-29-14-13-23-20(27)15-25(16-6-8-17(30-2)9-7-16)21(28)11-10-19(26)24-18-5-3-4-12-22-18/h3-9,12H,10-11,13-15H2,1-2H3,(H,23,27)(H,22,24,26).
What are the key properties of N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methoxyphenyl)-N-pyridin-2-ylbutanediamide?
N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methoxyphenyl)-N-pyridin-2-ylbutanediamide has a molecular weight of 414.46 g/mol, XLogP of 1.60, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(4-methoxyphenyl)-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 3205197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).