N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide

C15H16ClN3O — CID 108999138

IUPACN-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
SMILESCc1ccc(NC(=O)CNCc2ccccn2)cc1Cl
InChIInChI=1S/C15H16ClN3O/c1-11-5-6-12(8-14(11)16)19-15(20)10-17-9-13-4-2-3-7-18-13/h2-8,17H,9-10H2,1H3,(H,19,20)
InChIKeyDZCZZCWBZLWJCG-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.77
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide

N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide (PubChem CID 108999138) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
PubChem CID108999138
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
SMILESCc1ccc(NC(=O)CNCc2ccccn2)cc1Cl
InChIInChI=1S/C15H16ClN3O/c1-11-5-6-12(8-14(11)16)19-15(20)10-17-9-13-4-2-3-7-18-13/h2-8,17H,9-10H2,1H3,(H,19,20)
InChIKeyDZCZZCWBZLWJCG-UHFFFAOYSA-N
XLogP2.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 47107070
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-2-ylmethylamino)acetamide
CID 108999180
N-(3-chloro-4-fluorophenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023392
1-N-(3-chloro-4-methylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136942
5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105950
N-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998147
N-(2,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999125
N-(3-chloro-4-methylphenyl)-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 16951783
4-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212742
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997773
N-(4-chloro-3-methylphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide
CID 161086705
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pyridin-2-ylmethylamino)propanamide
CID 109023445

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide (CID 108999138) is N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide is Cc1ccc(NC(=O)CNCc2ccccn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide?
The InChIKey is DZCZZCWBZLWJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-11-5-6-12(8-14(11)16)19-15(20)10-17-9-13-4-2-3-7-18-13/h2-8,17H,9-10H2,1H3,(H,19,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide?
N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide has a molecular weight of 289.77 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide is sourced from PubChem (CID 108999138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).