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

C18H21N3O2 — CID 113120428

IUPAC3-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C)Cc1cccnc1
InChIInChI=1S/C18H21N3O2/c1-14-6-3-4-8-17(14)20-18(23)9-11-21(15(2)22)13-16-7-5-10-19-12-16/h3-8,10,12H,9,11,13H2,1-2H3,(H,20,23)
InChIKeyWLFPBYJXERXYIJ-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.77
Rot. Bonds6

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

3-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methylphenyl)propanamide (PubChem CID 113120428) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methylphenyl)propanamide
PubChem CID113120428
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name3-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C)Cc1cccnc1
InChIInChI=1S/C18H21N3O2/c1-14-6-3-4-8-17(14)20-18(23)9-11-21(15(2)22)13-16-7-5-10-19-12-16/h3-8,10,12H,9,11,13H2,1-2H3,(H,20,23)
InChIKeyWLFPBYJXERXYIJ-UHFFFAOYSA-N
XLogP2.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(benzyl)amino]-N-(3-methyl-4-pyridinyl)propanamide
CID 56783118
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113120522
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113120459
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113120489
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-ethylphenyl)acetamide
CID 113163650
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113120356
3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide
CID 113115004
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113120467
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide
CID 113117534
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113163658
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
CID 113163640
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113163586

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methylphenyl)propanamide (CID 113120428) is 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1C)Cc1cccnc1.
What is the InChIKey of 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methylphenyl)propanamide?
The InChIKey is WLFPBYJXERXYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14-6-3-4-8-17(14)20-18(23)9-11-21(15(2)22)13-16-7-5-10-19-12-16/h3-8,10,12H,9,11,13H2,1-2H3,(H,20,23).
What are the key properties of 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methylphenyl)propanamide?
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methylphenyl)propanamide has a molecular weight of 311.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 113120428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).