N-(2-ethylphenyl)-3-(pyridin-3-ylmethylamino)propanamide

C17H21N3O — CID 109023680

IUPACN-(2-ethylphenyl)-3-(pyridin-3-ylmethylamino)propanamide
SMILESCCc1ccccc1NC(=O)CCNCc1cccnc1
InChIInChI=1S/C17H21N3O/c1-2-15-7-3-4-8-16(15)20-17(21)9-11-19-13-14-6-5-10-18-12-14/h3-8,10,12,19H,2,9,11,13H2,1H3,(H,20,21)
InChIKeyDMGJKHHNFBLDIQ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.76
Rot. Bonds7

About N-(2-ethylphenyl)-3-(pyridin-3-ylmethylamino)propanamide

N-(2-ethylphenyl)-3-(pyridin-3-ylmethylamino)propanamide (PubChem CID 109023680) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(pyridin-3-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(pyridin-3-ylmethylamino)propanamide
PubChem CID109023680
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(2-ethylphenyl)-3-(pyridin-3-ylmethylamino)propanamide
SMILESCCc1ccccc1NC(=O)CCNCc1cccnc1
InChIInChI=1S/C17H21N3O/c1-2-15-7-3-4-8-16(15)20-17(21)9-11-19-13-14-6-5-10-18-12-14/h3-8,10,12,19H,2,9,11,13H2,1H3,(H,20,21)
InChIKeyDMGJKHHNFBLDIQ-UHFFFAOYSA-N
XLogP2.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109019088
N-(2-ethylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024292
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-ethylphenyl)acetamide
CID 113163650
methyl 4-chloro-3-[3-(pyridin-3-ylmethylamino)propanoylamino]benzoate
CID 109023727
N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023651
N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023656
N-(2-ethylphenyl)-2-pyridin-3-yloxyacetamide
CID 38114602
2-(benzylamino)-N-(2-ethylphenyl)acetamide
CID 766717
N-(2-ethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235401
2-ethyl-N-(2-pyridin-3-ylethyl)aniline
CID 55169393
N-(2-ethylphenyl)-2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]acetamide
CID 27852073
2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid
CID 62534222

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(pyridin-3-ylmethylamino)propanamide?
The IUPAC name of N-(2-ethylphenyl)-3-(pyridin-3-ylmethylamino)propanamide (CID 109023680) is N-(2-ethylphenyl)-3-(pyridin-3-ylmethylamino)propanamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(pyridin-3-ylmethylamino)propanamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(pyridin-3-ylmethylamino)propanamide is CCc1ccccc1NC(=O)CCNCc1cccnc1.
What is the InChIKey of N-(2-ethylphenyl)-3-(pyridin-3-ylmethylamino)propanamide?
The InChIKey is DMGJKHHNFBLDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-15-7-3-4-8-16(15)20-17(21)9-11-19-13-14-6-5-10-18-12-14/h3-8,10,12,19H,2,9,11,13H2,1H3,(H,20,21).
What are the key properties of N-(2-ethylphenyl)-3-(pyridin-3-ylmethylamino)propanamide?
N-(2-ethylphenyl)-3-(pyridin-3-ylmethylamino)propanamide has a molecular weight of 283.38 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(pyridin-3-ylmethylamino)propanamide is sourced from PubChem (CID 109023680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).