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

C19H23N3O2 — CID 113120171

IUPAC3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1C)Cc1ccccn1
InChIInChI=1S/C19H23N3O2/c1-15-7-3-4-8-17(15)13-21-19(24)10-12-22(16(2)23)14-18-9-5-6-11-20-18/h3-9,11H,10,12-14H2,1-2H3,(H,21,24)
InChIKeyFNLVKDUEZYHNQZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.45
Rot. Bonds7

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

3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 113120171) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide
PubChem CID113120171
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1C)Cc1ccccn1
InChIInChI=1S/C19H23N3O2/c1-15-7-3-4-8-17(15)13-21-19(24)10-12-22(16(2)23)14-18-9-5-6-11-20-18/h3-9,11H,10,12-14H2,1-2H3,(H,21,24)
InChIKeyFNLVKDUEZYHNQZ-UHFFFAOYSA-N
XLogP2.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113119443
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120177
3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide
CID 113120148
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 113120169
3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide
CID 113120223
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113119260
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113120216
3-(N-acetyl-2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113124845
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113118403
3-[acetyl(butyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113115749
N-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
CID 113120288
3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide
CID 113120220

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide (CID 113120171) is 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide is CC(=O)N(CCC(=O)NCc1ccccc1C)Cc1ccccn1.
What is the InChIKey of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is FNLVKDUEZYHNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15-7-3-4-8-17(15)13-21-19(24)10-12-22(16(2)23)14-18-9-5-6-11-20-18/h3-9,11H,10,12-14H2,1-2H3,(H,21,24).
What are the key properties of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide?
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 325.41 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113120171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).