N-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide

C17H21N3O3 — CID 109023408

IUPACN-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
SMILESCOc1ccc(NC(=O)CCNCc2ccccn2)cc1OC
InChIInChI=1S/C17H21N3O3/c1-22-15-7-6-13(11-16(15)23-2)20-17(21)8-10-18-12-14-5-3-4-9-19-14/h3-7,9,11,18H,8,10,12H2,1-2H3,(H,20,21)
InChIKeyBQACZYSYLHOXDX-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.22
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide

N-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide (PubChem CID 109023408) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
PubChem CID109023408
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
SMILESCOc1ccc(NC(=O)CCNCc2ccccn2)cc1OC
InChIInChI=1S/C17H21N3O3/c1-22-15-7-6-13(11-16(15)23-2)20-17(21)8-10-18-12-14-5-3-4-9-19-14/h3-7,9,11,18H,8,10,12H2,1-2H3,(H,20,21)
InChIKeyBQACZYSYLHOXDX-UHFFFAOYSA-N
XLogP2.22
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 971285
1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 47032165
N-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide
CID 109023421
N-(3-chloro-4-fluorophenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023392
N-(2-ethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023401
N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylpropanamide
CID 47468190
N-(4-cyanophenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023461
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pyridin-2-ylmethylamino)propanamide
CID 109023445
N-(3,4-dimethoxyphenyl)-3-(3-methylbutylamino)propanamide
CID 109032052
N-(4-amino-3-methoxyphenyl)-2-pyridin-2-ylacetamide
CID 61239289
N-(3,4-dimethoxyphenyl)-2-pyrimidin-2-yloxyacetamide
CID 121086700
N-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023379

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide (CID 109023408) is N-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide is COc1ccc(NC(=O)CCNCc2ccccn2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide?
The InChIKey is BQACZYSYLHOXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-22-15-7-6-13(11-16(15)23-2)20-17(21)8-10-18-12-14-5-3-4-9-19-14/h3-7,9,11,18H,8,10,12H2,1-2H3,(H,20,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide?
N-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide has a molecular weight of 315.37 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide is sourced from PubChem (CID 109023408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).