2-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide

C15H17N3O — CID 108999782

IUPAC2-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1cccc(NCC(=O)NCc2ccncc2)c1
InChIInChI=1S/C15H17N3O/c1-12-3-2-4-14(9-12)17-11-15(19)18-10-13-5-7-16-8-6-13/h2-9,17H,10-11H2,1H3,(H,18,19)
InChIKeyOOAGILUIBKNMAP-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.12
Rot. Bonds5

About 2-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide

2-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 108999782) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID108999782
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1cccc(NCC(=O)NCc2ccncc2)c1
InChIInChI=1S/C15H17N3O/c1-12-3-2-4-14(9-12)17-11-15(19)18-10-13-5-7-16-8-6-13/h2-9,17H,10-11H2,1H3,(H,18,19)
InChIKeyOOAGILUIBKNMAP-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

N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide
CID 51178267
2-[4-(dimethylamino)anilino]-N-(pyridin-4-ylmethyl)acetamide
CID 108999838
2-[(3-methylphenyl)methylsulfanyl]-N-(pyridin-4-ylmethyl)acetamide
CID 47099586
2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108997018
5-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235533
2-(4-acetamidoanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108996973
N-[(3-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 108996969
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 108999855
N-isoquinolin-6-yl-2-(3-methylanilino)acetamide
CID 59857964
2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 26438618
2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 108997033
2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259140

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide (CID 108999782) is 2-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide is Cc1cccc(NCC(=O)NCc2ccncc2)c1.
What is the InChIKey of 2-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is OOAGILUIBKNMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12-3-2-4-14(9-12)17-11-15(19)18-10-13-5-7-16-8-6-13/h2-9,17H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide?
2-(3-methylanilino)-N-(pyridin-4-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-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 108999782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).