N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide

C18H21N3O3 — CID 113055301

IUPACN-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCN(Cc1cccnc1)C(C)=O
InChIInChI=1S/C18H21N3O3/c1-14(22)21(13-15-6-5-9-19-12-15)11-10-20-18(23)16-7-3-4-8-17(16)24-2/h3-9,12H,10-11,13H2,1-2H3,(H,20,23)
InChIKeyQGEWYJAZOXBQIF-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.87
Rot. Bonds7

About N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide

N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide (PubChem CID 113055301) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide
PubChem CID113055301
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCN(Cc1cccnc1)C(C)=O
InChIInChI=1S/C18H21N3O3/c1-14(22)21(13-15-6-5-9-19-12-15)11-10-20-18(23)16-7-3-4-8-17(16)24-2/h3-9,12H,10-11,13H2,1-2H3,(H,20,23)
InChIKeyQGEWYJAZOXBQIF-UHFFFAOYSA-N
XLogP1.87
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide
CID 113054651
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide
CID 113053530
N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-2-methoxybenzamide
CID 113055103
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-3,4-dichlorobenzamide
CID 113055305
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113055335
N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113055375
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(3-bromophenyl)acetamide
CID 113055347
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113119744
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113120356
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113055312
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113055342
N-[3-[benzyl(methyl)amino]propyl]-2-methoxybenzamide
CID 18118649

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide (CID 113055301) is N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCN(Cc1cccnc1)C(C)=O.
What is the InChIKey of N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide?
The InChIKey is QGEWYJAZOXBQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-14(22)21(13-15-6-5-9-19-12-15)11-10-20-18(23)16-7-3-4-8-17(16)24-2/h3-9,12H,10-11,13H2,1-2H3,(H,20,23).
What are the key properties of N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide?
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide has a molecular weight of 327.38 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 113055301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).