3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide

C15H17N3O — CID 43309208

IUPAC3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C15H17N3O/c1-11-8-9-17-14(10-11)18-15(19)7-6-12-4-2-3-5-13(12)16/h2-5,8-10H,6-7,16H2,1H3,(H,17,18,19)
InChIKeyABGQVIXUFWXINY-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.54
Rot. Bonds4

About 3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide

3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide (PubChem CID 43309208) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide
PubChem CID43309208
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C15H17N3O/c1-11-8-9-17-14(10-11)18-15(19)7-6-12-4-2-3-5-13(12)16/h2-5,8-10H,6-7,16H2,1H3,(H,17,18,19)
InChIKeyABGQVIXUFWXINY-UHFFFAOYSA-N
XLogP2.54
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240805
3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 107273103
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 28713886
3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide
CID 107273233
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide
CID 43309199
3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide
CID 107272746
4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide
CID 63324069
3-(2-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide
CID 63670710
N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
CID 1251693
(2S)-2-amino-N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 104897124
3-(2-aminophenyl)-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]propanamide;hydrochloride
CID 120611017

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide (CID 43309208) is 3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide is Cc1ccnc(NC(=O)CCc2ccccc2N)c1.
What is the InChIKey of 3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide?
The InChIKey is ABGQVIXUFWXINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-8-9-17-14(10-11)18-15(19)7-6-12-4-2-3-5-13(12)16/h2-5,8-10H,6-7,16H2,1H3,(H,17,18,19).
What are the key properties of 3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide?
3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide has a molecular weight of 255.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 43309208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).