3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4,6-dimethyl-2-pyridinyl)propanamide

C25H24ClN3O — CID 16723913

IUPAC3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4,6-dimethyl-2-pyridinyl)propanamide
SMILESCc1cc(C)nc(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1
InChIInChI=1S/C25H24ClN3O/c1-17-13-18(2)27-24(14-17)28-25(30)12-9-20-16-29(23-6-4-3-5-22(20)23)15-19-7-10-21(26)11-8-19/h3-8,10-11,13-14,16H,9,12,15H2,1-2H3,(H,27,28,30)
InChIKeyXXEQIBUKUADQAS-UHFFFAOYSA-N
MW417.94 g/mol
LogP5.93
Rot. Bonds6

About 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4,6-dimethyl-2-pyridinyl)propanamide

3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4,6-dimethyl-2-pyridinyl)propanamide (PubChem CID 16723913) has the molecular formula C25H24ClN3O and a molecular weight of 417.94 g/mol. Its IUPAC name is 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4,6-dimethyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4,6-dimethyl-2-pyridinyl)propanamide
PubChem CID16723913
Molecular FormulaC25H24ClN3O
Molecular Weight417.94 g/mol
Exact Mass417.16
IUPAC Name3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4,6-dimethyl-2-pyridinyl)propanamide
SMILESCc1cc(C)nc(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1
InChIInChI=1S/C25H24ClN3O/c1-17-13-18(2)27-24(14-17)28-25(30)12-9-20-16-29(23-6-4-3-5-22(20)23)15-19-7-10-21(26)11-8-19/h3-8,10-11,13-14,16H,9,12,15H2,1-2H3,(H,27,28,30)
InChIKeyXXEQIBUKUADQAS-UHFFFAOYSA-N
XLogP5.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4,6-dimethyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4,6-dimethyl-2-pyridinyl)propanamide (CID 16723913) is 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4,6-dimethyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4,6-dimethyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4,6-dimethyl-2-pyridinyl)propanamide is Cc1cc(C)nc(NC(=O)CCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1.
What is the InChIKey of 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4,6-dimethyl-2-pyridinyl)propanamide?
The InChIKey is XXEQIBUKUADQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O/c1-17-13-18(2)27-24(14-17)28-25(30)12-9-20-16-29(23-6-4-3-5-22(20)23)15-19-7-10-21(26)11-8-19/h3-8,10-11,13-14,16H,9,12,15H2,1-2H3,(H,27,28,30).
What are the key properties of 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4,6-dimethyl-2-pyridinyl)propanamide?
3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4,6-dimethyl-2-pyridinyl)propanamide has a molecular weight of 417.94 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4,6-dimethyl-2-pyridinyl)propanamide is sourced from PubChem (CID 16723913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).