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

C15H17N3O — CID 106590814

IUPAC2-(3-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)C(C)c2cccc(N)c2)c1
InChIInChI=1S/C15H17N3O/c1-10-6-7-17-14(8-10)18-15(19)11(2)12-4-3-5-13(16)9-12/h3-9,11H,16H2,1-2H3,(H,17,18,19)
InChIKeyGDMWDACRJYYCIW-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.71
Rot. Bonds3

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

2-(3-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide (PubChem CID 106590814) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide
PubChem CID106590814
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(3-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)C(C)c2cccc(N)c2)c1
InChIInChI=1S/C15H17N3O/c1-10-6-7-17-14(8-10)18-15(19)11(2)12-4-3-5-13(16)9-12/h3-9,11H,16H2,1-2H3,(H,17,18,19)
InChIKeyGDMWDACRJYYCIW-UHFFFAOYSA-N
XLogP2.71
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.71
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

2-(3-aminophenyl)-N-(1,2-oxazol-3-yl)propanamide
CID 106591393
2-(3-aminophenyl)-N-(4-methylphenyl)propanamide
CID 106590701
(2S)-2-amino-N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 104897124
2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 106590698
2-(methylamino)-N-(4-methyl-2-pyridinyl)propanamide
CID 62639101
2-methoxy-N-(4-methyl-2-pyridinyl)propanamide
CID 170104902
2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 106590705
2-(3-aminophenyl)-N-(2-chloro-6-methylphenyl)propanamide
CID 106591588
(2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 61148599
2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 76892276
2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide
CID 106590704
4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide
CID 63324069

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide (CID 106590814) is 2-(3-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide is Cc1ccnc(NC(=O)C(C)c2cccc(N)c2)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide?
The InChIKey is GDMWDACRJYYCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-6-7-17-14(8-10)18-15(19)11(2)12-4-3-5-13(16)9-12/h3-9,11H,16H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(3-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide?
2-(3-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide has a molecular weight of 255.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 106590814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).