3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide

C16H19N3O — CID 62995351

IUPAC3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCc2cccc(N)c2)cn1
InChIInChI=1S/C16H19N3O/c1-12-5-6-14(10-18-12)11-19-16(20)8-7-13-3-2-4-15(17)9-13/h2-6,9-10H,7-8,11,17H2,1H3,(H,19,20)
InChIKeyZKRSESFSYOQKDS-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.22
Rot. Bonds5

About 3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide

3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide (PubChem CID 62995351) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
PubChem CID62995351
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCc2cccc(N)c2)cn1
InChIInChI=1S/C16H19N3O/c1-12-5-6-14(10-18-12)11-19-16(20)8-7-13-3-2-4-15(17)9-13/h2-6,9-10H,7-8,11,17H2,1H3,(H,19,20)
InChIKeyZKRSESFSYOQKDS-UHFFFAOYSA-N
XLogP2.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.22
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

N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide
CID 47038622
3-(3-aminophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propanamide
CID 82733558
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 43309221
3-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 173090462
(E)-3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide
CID 115344051
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
5-[(6-methyl-3-pyridinyl)methylamino]-5-oxopentanoic acid
CID 62996023
2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]acetamide
CID 47043979
3-(3-aminophenyl)-N-(3-methyl-2-pyridinyl)propanamide
CID 43309074
N-[(3-aminophenyl)methyl]-4-methylpentanamide
CID 62500233
2-amino-N-[2-[(6-methyl-3-pyridinyl)methylamino]-2-oxoethyl]acetamide
CID 62073740
3-(3-aminophenyl)-N-(2-methylsulfinylethyl)propanamide
CID 113479619

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide (CID 62995351) is 3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide is Cc1ccc(CNC(=O)CCc2cccc(N)c2)cn1.
What is the InChIKey of 3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide?
The InChIKey is ZKRSESFSYOQKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-5-6-14(10-18-12)11-19-16(20)8-7-13-3-2-4-15(17)9-13/h2-6,9-10H,7-8,11,17H2,1H3,(H,19,20).
What are the key properties of 3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide?
3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide has a molecular weight of 269.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 62995351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).