3-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-methoxyphenyl)propanamide

C18H21N3O3 — CID 113120272

IUPAC3-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN(Cc1ccccn1)C(C)=O
InChIInChI=1S/C18H21N3O3/c1-14(22)21(13-15-7-5-6-11-19-15)12-10-18(23)20-16-8-3-4-9-17(16)24-2/h3-9,11H,10,12-13H2,1-2H3,(H,20,23)
InChIKeyZTTGOZJZHOFHPD-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.47
Rot. Bonds7

About 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-methoxyphenyl)propanamide

3-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-methoxyphenyl)propanamide (PubChem CID 113120272) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-methoxyphenyl)propanamide
PubChem CID113120272
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN(Cc1ccccn1)C(C)=O
InChIInChI=1S/C18H21N3O3/c1-14(22)21(13-15-7-5-6-11-19-15)12-10-18(23)20-16-8-3-4-9-17(16)24-2/h3-9,11H,10,12-13H2,1-2H3,(H,20,23)
InChIKeyZTTGOZJZHOFHPD-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 113120316
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042
N-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
CID 113120288
N-(4-acetylphenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
CID 113120287
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 113120324
2-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 113163524
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113120329
3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide
CID 113120148
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113120193
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
CID 113119801
3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide
CID 113120220
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120177

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-methoxyphenyl)propanamide (CID 113120272) is 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCN(Cc1ccccn1)C(C)=O.
What is the InChIKey of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-methoxyphenyl)propanamide?
The InChIKey is ZTTGOZJZHOFHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-14(22)21(13-15-7-5-6-11-19-15)12-10-18(23)20-16-8-3-4-9-17(16)24-2/h3-9,11H,10,12-13H2,1-2H3,(H,20,23).
What are the key properties of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-methoxyphenyl)propanamide?
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-methoxyphenyl)propanamide has a molecular weight of 327.38 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 113120272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).