4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-methoxyphenyl)butanamide

C24H22ClN3O2 — CID 18832923

IUPAC4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-methoxyphenyl)butanamide
SMILESCOc1cccc(NC(=O)CCCc2c(-c3ccccn3)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C24H22ClN3O2/c1-30-18-7-4-6-17(15-18)27-23(29)10-5-8-19-20-14-16(25)11-12-21(20)28-24(19)22-9-2-3-13-26-22/h2-4,6-7,9,11-15,28H,5,8,10H2,1H3,(H,27,29)
InChIKeyFXBCJEPWDRHKMT-UHFFFAOYSA-N
MW419.91 g/mol
LogP5.85
Rot. Bonds7

About 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-methoxyphenyl)butanamide

4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-methoxyphenyl)butanamide (PubChem CID 18832923) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-methoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-methoxyphenyl)butanamide
PubChem CID18832923
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC Name4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-methoxyphenyl)butanamide
SMILESCOc1cccc(NC(=O)CCCc2c(-c3ccccn3)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C24H22ClN3O2/c1-30-18-7-4-6-17(15-18)27-23(29)10-5-8-19-20-14-16(25)11-12-21(20)28-24(19)22-9-2-3-13-26-22/h2-4,6-7,9,11-15,28H,5,8,10H2,1H3,(H,27,29)
InChIKeyFXBCJEPWDRHKMT-UHFFFAOYSA-N
XLogP5.85
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18833186
4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(4-iodophenyl)butanamide
CID 18832998
N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832794
N-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832735
N-(5-chloro-2-phenoxyphenyl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18833233
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide
CID 18832718
N-(2,5-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827506
N-(3-methoxyphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846841
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-nitrophenyl)butanamide
CID 18832791
2-chloro-N'-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide
CID 18833018
ethyl 4-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18832773
N-(2,6-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827573

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-methoxyphenyl)butanamide?
The IUPAC name of 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-methoxyphenyl)butanamide (CID 18832923) is 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-methoxyphenyl)butanamide.
What is the SMILES notation for 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-methoxyphenyl)butanamide?
The canonical SMILES for 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-methoxyphenyl)butanamide is COc1cccc(NC(=O)CCCc2c(-c3ccccn3)[nH]c3ccc(Cl)cc23)c1.
What is the InChIKey of 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-methoxyphenyl)butanamide?
The InChIKey is FXBCJEPWDRHKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c1-30-18-7-4-6-17(15-18)27-23(29)10-5-8-19-20-14-16(25)11-12-21(20)28-24(19)22-9-2-3-13-26-22/h2-4,6-7,9,11-15,28H,5,8,10H2,1H3,(H,27,29).
What are the key properties of 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-methoxyphenyl)butanamide?
4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-methoxyphenyl)butanamide has a molecular weight of 419.91 g/mol, XLogP of 5.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(3-methoxyphenyl)butanamide is sourced from PubChem (CID 18832923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).