2-(4-aminophenyl)-N,N-dimethyl-3-pyridin-3-ylpropanamide

C16H19N3O — CID 82020986

IUPAC2-(4-aminophenyl)-N,N-dimethyl-3-pyridin-3-ylpropanamide
SMILESCN(C)C(=O)C(Cc1cccnc1)c1ccc(N)cc1
InChIInChI=1S/C16H19N3O/c1-19(2)16(20)15(10-12-4-3-9-18-11-12)13-5-7-14(17)8-6-13/h3-9,11,15H,10,17H2,1-2H3
InChIKeyBJPDXQLNPTZJFK-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.08
Rot. Bonds4

About 2-(4-aminophenyl)-N,N-dimethyl-3-pyridin-3-ylpropanamide

2-(4-aminophenyl)-N,N-dimethyl-3-pyridin-3-ylpropanamide (PubChem CID 82020986) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N,N-dimethyl-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N,N-dimethyl-3-pyridin-3-ylpropanamide
PubChem CID82020986
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(4-aminophenyl)-N,N-dimethyl-3-pyridin-3-ylpropanamide
SMILESCN(C)C(=O)C(Cc1cccnc1)c1ccc(N)cc1
InChIInChI=1S/C16H19N3O/c1-19(2)16(20)15(10-12-4-3-9-18-11-12)13-5-7-14(17)8-6-13/h3-9,11,15H,10,17H2,1-2H3
InChIKeyBJPDXQLNPTZJFK-UHFFFAOYSA-N
XLogP2.08
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-3-pyridin-3-ylpropanamide
CID 171502842
N-benzyl-N-ethyl-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide
CID 110296433
3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride
CID 119958250
(2S)-2-(4-aminophenyl)-3-pyridin-4-ylpropanoic acid
CID 39346452
2-methyl-1-pyridin-3-ylpentan-3-one
CID 57063498
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110627067
2-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-3-pyridin-3-ylpropanamide
CID 110306923
N-(2-phenoxyethoxy)-2-phenyl-3-pyridin-3-ylpropanamide
CID 110632945
N-(4-acetamidophenyl)-2-(4-chlorophenyl)-3-pyridin-3-ylpropanamide
CID 110296801
2-(4-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 110619177
iron(3+);tris(3-(pyridin-3-ylmethyl)pentane-2,4-dione)
CID 159970189
2-hydroxy-N,N-dimethyl-2-pyridin-3-ylacetamide
CID 83529938

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N,N-dimethyl-3-pyridin-3-ylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N,N-dimethyl-3-pyridin-3-ylpropanamide (CID 82020986) is 2-(4-aminophenyl)-N,N-dimethyl-3-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N,N-dimethyl-3-pyridin-3-ylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N,N-dimethyl-3-pyridin-3-ylpropanamide is CN(C)C(=O)C(Cc1cccnc1)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N,N-dimethyl-3-pyridin-3-ylpropanamide?
The InChIKey is BJPDXQLNPTZJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(2)16(20)15(10-12-4-3-9-18-11-12)13-5-7-14(17)8-6-13/h3-9,11,15H,10,17H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-N,N-dimethyl-3-pyridin-3-ylpropanamide?
2-(4-aminophenyl)-N,N-dimethyl-3-pyridin-3-ylpropanamide has a molecular weight of 269.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N,N-dimethyl-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 82020986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).