3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide

C23H20ClN3O — CID 16723801

IUPAC3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide
SMILESO=C(CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)Nc1ccncc1
InChIInChI=1S/C23H20ClN3O/c24-19-8-5-17(6-9-19)15-27-16-18(21-3-1-2-4-22(21)27)7-10-23(28)26-20-11-13-25-14-12-20/h1-6,8-9,11-14,16H,7,10,15H2,(H,25,26,28)
InChIKeyKTMXBAQZQLHSIQ-UHFFFAOYSA-N
MW389.89 g/mol
LogP5.31
Rot. Bonds6

About 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide

3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide (PubChem CID 16723801) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide
PubChem CID16723801
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC Name3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide
SMILESO=C(CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)Nc1ccncc1
InChIInChI=1S/C23H20ClN3O/c24-19-8-5-17(6-9-19)15-27-16-18(21-3-1-2-4-22(21)27)7-10-23(28)26-20-11-13-25-14-12-20/h1-6,8-9,11-14,16H,7,10,15H2,(H,25,26,28)
InChIKeyKTMXBAQZQLHSIQ-UHFFFAOYSA-N
XLogP5.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 55.31
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-pyridin-4-ylpropanamide?
The IUPAC name of 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide (CID 16723801) is 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide?
The canonical SMILES for 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide is O=C(CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)Nc1ccncc1.
What is the InChIKey of 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide?
The InChIKey is KTMXBAQZQLHSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c24-19-8-5-17(6-9-19)15-27-16-18(21-3-1-2-4-22(21)27)7-10-23(28)26-20-11-13-25-14-12-20/h1-6,8-9,11-14,16H,7,10,15H2,(H,25,26,28).
What are the key properties of 3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide?
3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-pyridin-4-ylpropanamide has a molecular weight of 389.89 g/mol, XLogP of 5.31, 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-pyridin-4-ylpropanamide is sourced from PubChem (CID 16723801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).