N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide

C24H22ClN3O — CID 18832794

IUPACN-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)Nc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C24H22ClN3O/c1-16-8-13-21-20(15-16)19(24(28-21)22-6-2-3-14-26-22)5-4-7-23(29)27-18-11-9-17(25)10-12-18/h2-3,6,8-15,28H,4-5,7H2,1H3,(H,27,29)
InChIKeySZCHRFHUXLZJRQ-UHFFFAOYSA-N
MW403.91 g/mol
LogP6.15
Rot. Bonds6

About N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide

N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18832794) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
PubChem CID18832794
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC NameN-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESCc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)Nc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C24H22ClN3O/c1-16-8-13-21-20(15-16)19(24(28-21)22-6-2-3-14-26-22)5-4-7-23(29)27-18-11-9-17(25)10-12-18/h2-3,6,8-15,28H,4-5,7H2,1H3,(H,27,29)
InChIKeySZCHRFHUXLZJRQ-UHFFFAOYSA-N
XLogP6.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide
CID 18832718
4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide
CID 18832998
ethyl 4-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18832773
N-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832735
N-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832689
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-prop-2-enylbutanamide
CID 18832745
N-benzyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832746
N-(2,3-dimethylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832695
4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-methoxyphenyl)butanamide
CID 18832923
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-nitrophenyl)butanamide
CID 18832791
N-(3-chlorophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18833186
N-hexadecyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832762

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The IUPAC name of N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide (CID 18832794) is N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide is Cc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)Nc3ccc(Cl)cc3)c2c1.
What is the InChIKey of N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The InChIKey is SZCHRFHUXLZJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O/c1-16-8-13-21-20(15-16)19(24(28-21)22-6-2-3-14-26-22)5-4-7-23(29)27-18-11-9-17(25)10-12-18/h2-3,6,8-15,28H,4-5,7H2,1H3,(H,27,29).
What are the key properties of N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide?
N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 403.91 g/mol, XLogP of 6.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18832794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).