3-(3-aminophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propanamide

C17H21N3O — CID 82733558

IUPAC3-(3-aminophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propanamide
SMILESCCc1cccnc1CNC(=O)CCc1cccc(N)c1
InChIInChI=1S/C17H21N3O/c1-2-14-6-4-10-19-16(14)12-20-17(21)9-8-13-5-3-7-15(18)11-13/h3-7,10-11H,2,8-9,12,18H2,1H3,(H,20,21)
InChIKeyWCMMCCFVHMBQJU-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.48
Rot. Bonds6

About 3-(3-aminophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propanamide

3-(3-aminophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propanamide (PubChem CID 82733558) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propanamide
PubChem CID82733558
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-(3-aminophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propanamide
SMILESCCc1cccnc1CNC(=O)CCc1cccc(N)c1
InChIInChI=1S/C17H21N3O/c1-2-14-6-4-10-19-16(14)12-20-17(21)9-8-13-5-3-7-15(18)11-13/h3-7,10-11H,2,8-9,12,18H2,1H3,(H,20,21)
InChIKeyWCMMCCFVHMBQJU-UHFFFAOYSA-N
XLogP2.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.48
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-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 62995351
2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82733539
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
3-(3-aminophenyl)-N-(3-methyl-2-pyridinyl)propanamide
CID 43309074
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 43309221
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide
CID 82738689
tert-butyl 4-[(3-ethyl-2-pyridinyl)methylamino]-4-oxobutanoate
CID 106707645
2-(3-amino-1,2,4-triazol-1-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82741688
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 104742770
2-(butan-2-ylamino)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82738513
3-(3-aminophenyl)-N-(2-cyanopropyl)propanamide
CID 115341412
3-(3-aminophenyl)-N-(2,2-diethoxyethyl)propanamide
CID 115341572

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propanamide (CID 82733558) is 3-(3-aminophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propanamide is CCc1cccnc1CNC(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propanamide?
The InChIKey is WCMMCCFVHMBQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-14-6-4-10-19-16(14)12-20-17(21)9-8-13-5-3-7-15(18)11-13/h3-7,10-11H,2,8-9,12,18H2,1H3,(H,20,21).
What are the key properties of 3-(3-aminophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propanamide?
3-(3-aminophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propanamide has a molecular weight of 283.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propanamide is sourced from PubChem (CID 82733558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).