2-[(3-ethyl-2-pyridinyl)methylamino]-N-phenylpropanamide

C17H21N3O — CID 82736524

IUPAC2-[(3-ethyl-2-pyridinyl)methylamino]-N-phenylpropanamide
SMILESCCc1cccnc1CNC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C17H21N3O/c1-3-14-8-7-11-18-16(14)12-19-13(2)17(21)20-15-9-5-4-6-10-15/h4-11,13,19H,3,12H2,1-2H3,(H,20,21)
InChIKeyHCSYZFLNFKCXMG-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.76
Rot. Bonds6

About 2-[(3-ethyl-2-pyridinyl)methylamino]-N-phenylpropanamide

2-[(3-ethyl-2-pyridinyl)methylamino]-N-phenylpropanamide (PubChem CID 82736524) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[(3-ethyl-2-pyridinyl)methylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[(3-ethyl-2-pyridinyl)methylamino]-N-phenylpropanamide
PubChem CID82736524
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[(3-ethyl-2-pyridinyl)methylamino]-N-phenylpropanamide
SMILESCCc1cccnc1CNC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C17H21N3O/c1-3-14-8-7-11-18-16(14)12-19-13(2)17(21)20-15-9-5-4-6-10-15/h4-11,13,19H,3,12H2,1-2H3,(H,20,21)
InChIKeyHCSYZFLNFKCXMG-UHFFFAOYSA-N
XLogP2.76
TPSA54.02 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 ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(ethylcarbamoyl)-2-[(3-ethyl-2-pyridinyl)methylamino]propanamide
CID 82738463
2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid
CID 103261743
2-(benzylamino)-N-phenylpropanamide
CID 4877973
(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956
2-[(3-ethyl-2-pyridinyl)methylamino]-N'-hydroxypropanimidamide
CID 82739404
N-[(3-ethyl-2-pyridinyl)methyl]-2,2,2-trifluoro-1-phenylethanamine
CID 82737451
N-phenyl-2-(2-pyridin-2-ylethylamino)propanamide
CID 43083637
1-amino-2-[(3-ethyl-2-pyridinyl)methyl]-3-phenylguanidine
CID 116516182
5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107707041
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-phenylpropanamide
CID 115767897
N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
CID 82732936
2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide
CID 112726245

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-pyridinyl)methylamino]-N-phenylpropanamide?
The IUPAC name of 2-[(3-ethyl-2-pyridinyl)methylamino]-N-phenylpropanamide (CID 82736524) is 2-[(3-ethyl-2-pyridinyl)methylamino]-N-phenylpropanamide.
What is the SMILES notation for 2-[(3-ethyl-2-pyridinyl)methylamino]-N-phenylpropanamide?
The canonical SMILES for 2-[(3-ethyl-2-pyridinyl)methylamino]-N-phenylpropanamide is CCc1cccnc1CNC(C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[(3-ethyl-2-pyridinyl)methylamino]-N-phenylpropanamide?
The InChIKey is HCSYZFLNFKCXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-14-8-7-11-18-16(14)12-19-13(2)17(21)20-15-9-5-4-6-10-15/h4-11,13,19H,3,12H2,1-2H3,(H,20,21).
What are the key properties of 2-[(3-ethyl-2-pyridinyl)methylamino]-N-phenylpropanamide?
2-[(3-ethyl-2-pyridinyl)methylamino]-N-phenylpropanamide has a molecular weight of 283.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-pyridinyl)methylamino]-N-phenylpropanamide is sourced from PubChem (CID 82736524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).