N'-(2,5-dimethylphenyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide

C24H32N4O3 — CID 3205070

IUPACN'-(2,5-dimethylphenyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESCCC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1cc(C)ccc1C
InChIInChI=1S/C24H32N4O3/c1-6-24(4,5)27-22(30)16-28(19-15-17(2)10-11-18(19)3)23(31)13-12-21(29)26-20-9-7-8-14-25-20/h7-11,14-15H,6,12-13,16H2,1-5H3,(H,27,30)(H,25,26,29)
InChIKeyAHJHDWZEFYAAEK-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.76
Rot. Bonds9

About N'-(2,5-dimethylphenyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide

N'-(2,5-dimethylphenyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide (PubChem CID 3205070) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N'-(2,5-dimethylphenyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-(2,5-dimethylphenyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
PubChem CID3205070
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN'-(2,5-dimethylphenyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESCCC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1cc(C)ccc1C
InChIInChI=1S/C24H32N4O3/c1-6-24(4,5)27-22(30)16-28(19-15-17(2)10-11-18(19)3)23(31)13-12-21(29)26-20-9-7-8-14-25-20/h7-11,14-15H,6,12-13,16H2,1-5H3,(H,27,30)(H,25,26,29)
InChIKeyAHJHDWZEFYAAEK-UHFFFAOYSA-N
XLogP3.76
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-(2,5-dimethylphenyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-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

Related Compounds

N'-[2-(tert-butylamino)-2-oxoethyl]-N'-(4-methylphenyl)-N-pyridin-2-ylbutanediamide
CID 3205027
N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-(1,3-thiazol-2-yl)butanediamide
CID 3205560
N'-(2-methoxyethyl)-N'-[(1R)-2-(2-methylbutan-2-ylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 40901718
N'-(2-ethylphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 3205189
N'-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N'-(2,4-dimethylphenyl)-N-pyridin-2-ylbutanediamide
CID 3205241
N'-(3,5-dimethylphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide
CID 3204774
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide
CID 3204830
N'-(2,4-dimethoxyphenyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 3205572
N'-(2,3-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide
CID 3208386
N'-(2,4-dimethoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 3846179
4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
CID 35034572

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylphenyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-(2,5-dimethylphenyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide (CID 3205070) is N'-(2,5-dimethylphenyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-(2,5-dimethylphenyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-(2,5-dimethylphenyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide is CCC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1cc(C)ccc1C.
What is the InChIKey of N'-(2,5-dimethylphenyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The InChIKey is AHJHDWZEFYAAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-6-24(4,5)27-22(30)16-28(19-15-17(2)10-11-18(19)3)23(31)13-12-21(29)26-20-9-7-8-14-25-20/h7-11,14-15H,6,12-13,16H2,1-5H3,(H,27,30)(H,25,26,29).
What are the key properties of N'-(2,5-dimethylphenyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
N'-(2,5-dimethylphenyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide has a molecular weight of 424.55 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylphenyl)-N'-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 3205070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).