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

C17H17Cl2N3O2 — CID 108963626

IUPACN-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
SMILESCC(C)(C(=O)NCc1cccnc1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2N3O2/c1-17(2,15(23)21-10-11-4-3-7-20-9-11)16(24)22-14-6-5-12(18)8-13(14)19/h3-9H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKERUSCQMQMTPHD-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.67
Rot. Bonds5

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

N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide (PubChem CID 108963626) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
PubChem CID108963626
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC NameN-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
SMILESCC(C)(C(=O)NCc1cccnc1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2N3O2/c1-17(2,15(23)21-10-11-4-3-7-20-9-11)16(24)22-14-6-5-12(18)8-13(14)19/h3-9H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKERUSCQMQMTPHD-UHFFFAOYSA-N
XLogP3.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2818710
N-(2,4-difluorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963619
N-(3,4-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963625
N-(4-bromo-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963612
N-(2,4-dichlorophenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963110
N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963572
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963576
N-(2,4-dichlorophenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191437
N-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108968895
N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371066
ethyl 2-[[2,2-dimethyl-3-oxo-3-(pyridin-3-ylmethylamino)propanoyl]amino]benzoate
CID 108963634
N-(2,4-dichlorophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157918

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide (CID 108963626) is N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide is CC(C)(C(=O)NCc1cccnc1)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide?
The InChIKey is KERUSCQMQMTPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-17(2,15(23)21-10-11-4-3-7-20-9-11)16(24)22-14-6-5-12(18)8-13(14)19/h3-9H,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide?
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide has a molecular weight of 366.25 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide is sourced from PubChem (CID 108963626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).