2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide

C15H17N3O — CID 108999506

IUPAC2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccccc1NCC(=O)NCc1cccnc1
InChIInChI=1S/C15H17N3O/c1-12-5-2-3-7-14(12)17-11-15(19)18-10-13-6-4-8-16-9-13/h2-9,17H,10-11H2,1H3,(H,18,19)
InChIKeyXLHDHRRRTQCYHA-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.12
Rot. Bonds5

About 2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide

2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 108999506) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID108999506
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccccc1NCC(=O)NCc1cccnc1
InChIInChI=1S/C15H17N3O/c1-12-5-2-3-7-14(12)17-11-15(19)18-10-13-6-4-8-16-9-13/h2-9,17H,10-11H2,1H3,(H,18,19)
InChIKeyXLHDHRRRTQCYHA-UHFFFAOYSA-N
XLogP2.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999597
3-(2,3-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023524
2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999536
4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 3559507
N-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide
CID 110436040
4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 27554699
3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023536
N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1210518
4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109212998
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109019088
6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350032

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide (CID 108999506) is 2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide is Cc1ccccc1NCC(=O)NCc1cccnc1.
What is the InChIKey of 2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is XLHDHRRRTQCYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12-5-2-3-7-14(12)17-11-15(19)18-10-13-6-4-8-16-9-13/h2-9,17H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide?
2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 255.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 108999506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).