2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(pyridin-3-ylmethyl)propanamide

C25H26ClN3O2 — CID 133149502

IUPAC2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccnc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C25H26ClN3O2/c1-19(25(31)28-17-22-8-5-15-27-16-22)29(18-21-9-12-23(26)13-10-21)24(30)14-11-20-6-3-2-4-7-20/h2-10,12-13,15-16,19H,11,14,17-18H2,1H3,(H,28,31)
InChIKeyLBBNBCZZNZYSBV-UHFFFAOYSA-N
MW435.96 g/mol
LogP4.40
Rot. Bonds9

About 2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(pyridin-3-ylmethyl)propanamide

2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 133149502) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID133149502
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC Name2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccnc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C25H26ClN3O2/c1-19(25(31)28-17-22-8-5-15-27-16-22)29(18-21-9-12-23(26)13-10-21)24(30)14-11-20-6-3-2-4-7-20/h2-10,12-13,15-16,19H,11,14,17-18H2,1H3,(H,28,31)
InChIKeyLBBNBCZZNZYSBV-UHFFFAOYSA-N
XLogP4.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]butanamide
CID 133149417
2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 133149508
2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133148986
N-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide
CID 133148944
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 133149475
2-[benzyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133149053
N-benzyl-2-[(4-chlorophenyl)methyl-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]amino]propanamide
CID 133149209
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133213694
2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 132701689
2-[(4-chlorophenyl)methyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-phenylethyl)propanamide
CID 133149182
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133213379
2-[(4-chlorophenyl)methyl-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 133149223

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(pyridin-3-ylmethyl)propanamide (CID 133149502) is 2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(pyridin-3-ylmethyl)propanamide is CC(C(=O)NCc1cccnc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is LBBNBCZZNZYSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2/c1-19(25(31)28-17-22-8-5-15-27-16-22)29(18-21-9-12-23(26)13-10-21)24(30)14-11-20-6-3-2-4-7-20/h2-10,12-13,15-16,19H,11,14,17-18H2,1H3,(H,28,31).
What are the key properties of 2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(pyridin-3-ylmethyl)propanamide?
2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 435.96 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 133149502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).