N-(2,5-dimethoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide

C17H21N3O3 — CID 109024024

IUPACN-(2,5-dimethoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCNCc2ccncc2)c1
InChIInChI=1S/C17H21N3O3/c1-22-14-3-4-16(23-2)15(11-14)20-17(21)7-10-19-12-13-5-8-18-9-6-13/h3-6,8-9,11,19H,7,10,12H2,1-2H3,(H,20,21)
InChIKeyVYTAZDXUSHVSHS-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.22
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide

N-(2,5-dimethoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide (PubChem CID 109024024) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide
PubChem CID109024024
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-(2,5-dimethoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCNCc2ccncc2)c1
InChIInChI=1S/C17H21N3O3/c1-22-14-3-4-16(23-2)15(11-14)20-17(21)7-10-19-12-13-5-8-18-9-6-13/h3-6,8-9,11,19H,7,10,12H2,1-2H3,(H,20,21)
InChIKeyVYTAZDXUSHVSHS-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

N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022511
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140115
2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113163882
N-(2,5-dimethoxyphenyl)-4-(ethylamino)butanamide
CID 67149586
N-(2-phenoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024062
N-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019684
N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022472
N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide
CID 109037732
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
CID 16876325
3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 109022353

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide (CID 109024024) is N-(2,5-dimethoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide is COc1ccc(OC)c(NC(=O)CCNCc2ccncc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide?
The InChIKey is VYTAZDXUSHVSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-22-14-3-4-16(23-2)15(11-14)20-17(21)7-10-19-12-13-5-8-18-9-6-13/h3-6,8-9,11,19H,7,10,12H2,1-2H3,(H,20,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide?
N-(2,5-dimethoxyphenyl)-3-(pyridin-4-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-(2,5-dimethoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide is sourced from PubChem (CID 109024024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).