N-(4-bromo-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide

C18H20BrN3O2 — CID 108963612

IUPACN-(4-bromo-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
SMILESCc1cc(Br)ccc1NC(=O)C(C)(C)C(=O)NCc1cccnc1
InChIInChI=1S/C18H20BrN3O2/c1-12-9-14(19)6-7-15(12)22-17(24)18(2,3)16(23)21-11-13-5-4-8-20-10-13/h4-10H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyCUKCFFYGMOXGJI-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.43
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide

N-(4-bromo-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide (PubChem CID 108963612) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
PubChem CID108963612
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC NameN-(4-bromo-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
SMILESCc1cc(Br)ccc1NC(=O)C(C)(C)C(=O)NCc1cccnc1
InChIInChI=1S/C18H20BrN3O2/c1-12-9-14(19)6-7-15(12)22-17(24)18(2,3)16(23)21-11-13-5-4-8-20-10-13/h4-10H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyCUKCFFYGMOXGJI-UHFFFAOYSA-N
XLogP3.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(4-bromo-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide 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-difluorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963619
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963626
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963576
N-(4-bromo-2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171966
N-(4-bromo-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121056
ethyl 2-[[2,2-dimethyl-3-oxo-3-(pyridin-3-ylmethylamino)propanoyl]amino]benzoate
CID 108963634
N-(3,4-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963625
N-butyl-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108957797
1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 47326377
1-(4-bromo-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126030
N-(3-bromophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963762
N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963572

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide (CID 108963612) is N-(4-bromo-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide is Cc1cc(Br)ccc1NC(=O)C(C)(C)C(=O)NCc1cccnc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide?
The InChIKey is CUKCFFYGMOXGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-12-9-14(19)6-7-15(12)22-17(24)18(2,3)16(23)21-11-13-5-4-8-20-10-13/h4-10H,11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-bromo-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide?
N-(4-bromo-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide has a molecular weight of 390.28 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide is sourced from PubChem (CID 108963612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).