3-[acetyl(benzyl)amino]-N-(3-methyl-4-pyridinyl)propanamide

C18H21N3O2 — CID 56783118

IUPAC3-[acetyl(benzyl)amino]-N-(3-methyl-4-pyridinyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccncc1C)Cc1ccccc1
InChIInChI=1S/C18H21N3O2/c1-14-12-19-10-8-17(14)20-18(23)9-11-21(15(2)22)13-16-6-4-3-5-7-16/h3-8,10,12H,9,11,13H2,1-2H3,(H,19,20,23)
InChIKeyDHPSDTAROIZMHE-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.77
Rot. Bonds6

About 3-[acetyl(benzyl)amino]-N-(3-methyl-4-pyridinyl)propanamide

3-[acetyl(benzyl)amino]-N-(3-methyl-4-pyridinyl)propanamide (PubChem CID 56783118) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[acetyl(benzyl)amino]-N-(3-methyl-4-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(benzyl)amino]-N-(3-methyl-4-pyridinyl)propanamide
PubChem CID56783118
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name3-[acetyl(benzyl)amino]-N-(3-methyl-4-pyridinyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccncc1C)Cc1ccccc1
InChIInChI=1S/C18H21N3O2/c1-14-12-19-10-8-17(14)20-18(23)9-11-21(15(2)22)13-16-6-4-3-5-7-16/h3-8,10,12H,9,11,13H2,1-2H3,(H,19,20,23)
InChIKeyDHPSDTAROIZMHE-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(pyridin-3-ylmethyl)amino]-N-(2-methylphenyl)propanamide
CID 113120428
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 113120650
2-[4-[3-[acetyl(benzyl)amino]propanoylamino]-3-methylphenoxy]acetic acid
CID 119231417
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113120459
3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113118316
ethyl 2-[3-[acetyl(benzyl)amino]propanoylamino]benzoate
CID 113118359
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide
CID 113118806
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113120522
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113120713
3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide
CID 113118291
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113120489
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113120467

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(benzyl)amino]-N-(3-methyl-4-pyridinyl)propanamide?
The IUPAC name of 3-[acetyl(benzyl)amino]-N-(3-methyl-4-pyridinyl)propanamide (CID 56783118) is 3-[acetyl(benzyl)amino]-N-(3-methyl-4-pyridinyl)propanamide.
What is the SMILES notation for 3-[acetyl(benzyl)amino]-N-(3-methyl-4-pyridinyl)propanamide?
The canonical SMILES for 3-[acetyl(benzyl)amino]-N-(3-methyl-4-pyridinyl)propanamide is CC(=O)N(CCC(=O)Nc1ccncc1C)Cc1ccccc1.
What is the InChIKey of 3-[acetyl(benzyl)amino]-N-(3-methyl-4-pyridinyl)propanamide?
The InChIKey is DHPSDTAROIZMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14-12-19-10-8-17(14)20-18(23)9-11-21(15(2)22)13-16-6-4-3-5-7-16/h3-8,10,12H,9,11,13H2,1-2H3,(H,19,20,23).
What are the key properties of 3-[acetyl(benzyl)amino]-N-(3-methyl-4-pyridinyl)propanamide?
3-[acetyl(benzyl)amino]-N-(3-methyl-4-pyridinyl)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(benzyl)amino]-N-(3-methyl-4-pyridinyl)propanamide is sourced from PubChem (CID 56783118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).