3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide

C17H18ClN3O2 — CID 113120649

IUPAC3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Cl)cc1)Cc1ccncc1
InChIInChI=1S/C17H18ClN3O2/c1-13(22)21(12-14-6-9-19-10-7-14)11-8-17(23)20-16-4-2-15(18)3-5-16/h2-7,9-10H,8,11-12H2,1H3,(H,20,23)
InChIKeyCHWVPSXZPPALNY-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.11
Rot. Bonds6

About 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide

3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide (PubChem CID 113120649) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide
PubChem CID113120649
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Cl)cc1)Cc1ccncc1
InChIInChI=1S/C17H18ClN3O2/c1-13(22)21(12-14-6-9-19-10-7-14)11-8-17(23)20-16-4-2-15(18)3-5-16/h2-7,9-10H,8,11-12H2,1H3,(H,20,23)
InChIKeyCHWVPSXZPPALNY-UHFFFAOYSA-N
XLogP3.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113120639
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113120713
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 113120650
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
CID 113162786
3-(4-chlorophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)urea
CID 17180082
3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120836
3-[acetyl(pyridin-4-ylmethyl)amino]-N-cyclopropylpropanamide
CID 113120535
2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 113163940
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113118831
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113120459
3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide
CID 113118291
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119327

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide?
The IUPAC name of 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide (CID 113120649) is 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide?
The canonical SMILES for 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(Cl)cc1)Cc1ccncc1.
What is the InChIKey of 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide?
The InChIKey is CHWVPSXZPPALNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-13(22)21(12-14-6-9-19-10-7-14)11-8-17(23)20-16-4-2-15(18)3-5-16/h2-7,9-10H,8,11-12H2,1H3,(H,20,23).
What are the key properties of 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide?
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide has a molecular weight of 331.80 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide is sourced from PubChem (CID 113120649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).