3-amino-N-ethyl-5-methoxy-N-(pyridin-2-ylmethyl)benzamide

C16H19N3O2 — CID 81094441

IUPAC3-amino-N-ethyl-5-methoxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCCN(Cc1ccccn1)C(=O)c1cc(N)cc(OC)c1
InChIInChI=1S/C16H19N3O2/c1-3-19(11-14-6-4-5-7-18-14)16(20)12-8-13(17)10-15(9-12)21-2/h4-10H,3,11,17H2,1-2H3
InChIKeyUHCKHOJGSLWHOA-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.33
Rot. Bonds5

About 3-amino-N-ethyl-5-methoxy-N-(pyridin-2-ylmethyl)benzamide

3-amino-N-ethyl-5-methoxy-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 81094441) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-amino-N-ethyl-5-methoxy-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-5-methoxy-N-(pyridin-2-ylmethyl)benzamide
PubChem CID81094441
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-amino-N-ethyl-5-methoxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCCN(Cc1ccccn1)C(=O)c1cc(N)cc(OC)c1
InChIInChI=1S/C16H19N3O2/c1-3-19(11-14-6-4-5-7-18-14)16(20)12-8-13(17)10-15(9-12)21-2/h4-10H,3,11,17H2,1-2H3
InChIKeyUHCKHOJGSLWHOA-UHFFFAOYSA-N
XLogP2.33
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 103755974
5-amino-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 81316352
(3-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 118819424
3-amino-N-[2-(dimethylamino)ethyl]-5-methoxy-N-propylbenzamide
CID 81089994
3-amino-N-ethyl-N-(pyridin-2-ylmethyl)propanamide
CID 39241658
4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide
CID 50948158
3,5-dimethoxy-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 42319962
N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 114037745
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 121084710
N-(2-hydroxyphenyl)-3-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 108755925
5-methoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine
CID 80725603

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-5-methoxy-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-amino-N-ethyl-5-methoxy-N-(pyridin-2-ylmethyl)benzamide (CID 81094441) is 3-amino-N-ethyl-5-methoxy-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-N-ethyl-5-methoxy-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-amino-N-ethyl-5-methoxy-N-(pyridin-2-ylmethyl)benzamide is CCN(Cc1ccccn1)C(=O)c1cc(N)cc(OC)c1.
What is the InChIKey of 3-amino-N-ethyl-5-methoxy-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is UHCKHOJGSLWHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-19(11-14-6-4-5-7-18-14)16(20)12-8-13(17)10-15(9-12)21-2/h4-10H,3,11,17H2,1-2H3.
What are the key properties of 3-amino-N-ethyl-5-methoxy-N-(pyridin-2-ylmethyl)benzamide?
3-amino-N-ethyl-5-methoxy-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 285.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-5-methoxy-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 81094441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).