3-(2-methylanilino)-N-pyridin-4-ylpropanamide

C15H17N3O — CID 47111734

IUPAC3-(2-methylanilino)-N-pyridin-4-ylpropanamide
SMILESCc1ccccc1NCCC(=O)Nc1ccncc1
InChIInChI=1S/C15H17N3O/c1-12-4-2-3-5-14(12)17-11-8-15(19)18-13-6-9-16-10-7-13/h2-7,9-10,17H,8,11H2,1H3,(H,16,18,19)
InChIKeyBUGOKTRIHFDREU-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.83
Rot. Bonds5

About 3-(2-methylanilino)-N-pyridin-4-ylpropanamide

3-(2-methylanilino)-N-pyridin-4-ylpropanamide (PubChem CID 47111734) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(2-methylanilino)-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-(2-methylanilino)-N-pyridin-4-ylpropanamide
PubChem CID47111734
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-(2-methylanilino)-N-pyridin-4-ylpropanamide
SMILESCc1ccccc1NCCC(=O)Nc1ccncc1
InChIInChI=1S/C15H17N3O/c1-12-4-2-3-5-14(12)17-11-8-15(19)18-13-6-9-16-10-7-13/h2-7,9-10,17H,8,11H2,1H3,(H,16,18,19)
InChIKeyBUGOKTRIHFDREU-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-3-(2-methylanilino)propanamide
CID 109034069
N-(3-acetamidophenyl)-3-(2-methylanilino)propanamide
CID 51149887
N-(3-bromo-4-methylphenyl)-3-(2-methylanilino)propanamide
CID 109034087
N-(3,4-dimethylphenyl)-3-(2-ethylanilino)propanamide
CID 109035425
3-(2-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
CID 109035478
3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide
CID 109034353
2-(2-methylanilino)-N-(4-methylphenyl)acetamide
CID 7636705
3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033991
3-(3-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033964
methyl 3-(2-methylanilino)propanoate
CID 12805940
N-(3,4-dimethylphenyl)-3-(2-propan-2-ylanilino)propanamide
CID 109035429
2-(2-methylphenoxy)-N-pyridin-4-ylacetamide
CID 1101312

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylanilino)-N-pyridin-4-ylpropanamide?
The IUPAC name of 3-(2-methylanilino)-N-pyridin-4-ylpropanamide (CID 47111734) is 3-(2-methylanilino)-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-(2-methylanilino)-N-pyridin-4-ylpropanamide?
The canonical SMILES for 3-(2-methylanilino)-N-pyridin-4-ylpropanamide is Cc1ccccc1NCCC(=O)Nc1ccncc1.
What is the InChIKey of 3-(2-methylanilino)-N-pyridin-4-ylpropanamide?
The InChIKey is BUGOKTRIHFDREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12-4-2-3-5-14(12)17-11-8-15(19)18-13-6-9-16-10-7-13/h2-7,9-10,17H,8,11H2,1H3,(H,16,18,19).
What are the key properties of 3-(2-methylanilino)-N-pyridin-4-ylpropanamide?
3-(2-methylanilino)-N-pyridin-4-ylpropanamide has a molecular weight of 255.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylanilino)-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 47111734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).