N-tert-butyl-2-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)acetamide

C18H20Cl2N2O — CID 75510680

IUPACN-tert-butyl-2-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(C)(C)N(Cc1cccnc1)C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H20Cl2N2O/c1-18(2,3)22(12-13-6-5-9-21-11-13)17(23)10-14-15(19)7-4-8-16(14)20/h4-9,11H,10,12H2,1-3H3
InChIKeySKTXLDPSQDEQHW-UHFFFAOYSA-N
MW351.28 g/mol
LogP4.76
Rot. Bonds4

About N-tert-butyl-2-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)acetamide

N-tert-butyl-2-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 75510680) has the molecular formula C18H20Cl2N2O and a molecular weight of 351.28 g/mol. Its IUPAC name is N-tert-butyl-2-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID75510680
Molecular FormulaC18H20Cl2N2O
Molecular Weight351.28 g/mol
Exact Mass350.10
IUPAC NameN-tert-butyl-2-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(C)(C)N(Cc1cccnc1)C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H20Cl2N2O/c1-18(2,3)22(12-13-6-5-9-21-11-13)17(23)10-14-15(19)7-4-8-16(14)20/h4-9,11H,10,12H2,1-3H3
InChIKeySKTXLDPSQDEQHW-UHFFFAOYSA-N
XLogP4.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-2-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)acetamide 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-(pyridin-3-ylmethyl)propanehydrazide
CID 70312825
2-[tert-butyl(pyridin-3-ylmethyl)amino]acetic acid
CID 79269104
3-chloro-2-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563593
methyl 5-[tert-butyl(pyridin-3-ylmethyl)carbamoyl]furan-2-carboxylate
CID 99839959
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563639
1-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)urea
CID 692924
N-methyl-2-pyridin-3-ylacetohydrazide
CID 116844877
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 168853651
3-chloro-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 63681105
2-(3-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724716

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-tert-butyl-2-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)acetamide (CID 75510680) is N-tert-butyl-2-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-tert-butyl-2-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)acetamide is CC(C)(C)N(Cc1cccnc1)C(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-tert-butyl-2-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is SKTXLDPSQDEQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O/c1-18(2,3)22(12-13-6-5-9-21-11-13)17(23)10-14-15(19)7-4-8-16(14)20/h4-9,11H,10,12H2,1-3H3.
What are the key properties of N-tert-butyl-2-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)acetamide?
N-tert-butyl-2-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 351.28 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 75510680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).