N-(3-chloro-4-pyridinyl)-2-[1-(3,3-dimethylbutyl)indol-3-yl]acetamide

C21H24ClN3O — CID 141490391

IUPACN-(3-chloro-4-pyridinyl)-2-[1-(3,3-dimethylbutyl)indol-3-yl]acetamide
SMILESCC(C)(C)CCn1cc(CC(=O)Nc2ccncc2Cl)c2ccccc21
InChIInChI=1S/C21H24ClN3O/c1-21(2,3)9-11-25-14-15(16-6-4-5-7-19(16)25)12-20(26)24-18-8-10-23-13-17(18)22/h4-8,10,13-14H,9,11-12H2,1-3H3,(H,23,24,26)
InChIKeyMLVQOROTXFRKKL-UHFFFAOYSA-N
MW369.90 g/mol
LogP5.31
Rot. Bonds5

About N-(3-chloro-4-pyridinyl)-2-[1-(3,3-dimethylbutyl)indol-3-yl]acetamide

N-(3-chloro-4-pyridinyl)-2-[1-(3,3-dimethylbutyl)indol-3-yl]acetamide (PubChem CID 141490391) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is N-(3-chloro-4-pyridinyl)-2-[1-(3,3-dimethylbutyl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyridinyl)-2-[1-(3,3-dimethylbutyl)indol-3-yl]acetamide
PubChem CID141490391
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC NameN-(3-chloro-4-pyridinyl)-2-[1-(3,3-dimethylbutyl)indol-3-yl]acetamide
SMILESCC(C)(C)CCn1cc(CC(=O)Nc2ccncc2Cl)c2ccccc21
InChIInChI=1S/C21H24ClN3O/c1-21(2,3)9-11-25-14-15(16-6-4-5-7-19(16)25)12-20(26)24-18-8-10-23-13-17(18)22/h4-8,10,13-14H,9,11-12H2,1-3H3,(H,23,24,26)
InChIKeyMLVQOROTXFRKKL-UHFFFAOYSA-N
XLogP5.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.90
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3,3-dimethylbutyl)indol-3-yl]acetic acid
CID 61481379
2-[4-[[2-(1-ethylindol-3-yl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696950
N-(2-ethylphenyl)-2-(1-methylindol-3-yl)acetamide
CID 4523543
N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methylindol-3-yl)acetamide
CID 20851579
2-(1-benzylindol-3-yl)-N-[4-(pyridin-3-ylamino)phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 53385174
N-(5-chloro-2-pyridinyl)-2-(1-methylindol-3-yl)acetamide
CID 4568690
2-(1-methylindol-3-yl)-N-quinolin-5-ylacetamide
CID 51055371
3-[1-(3-hydroxy-3-methylbutyl)indol-3-yl]propanoic acid
CID 79354758
N-(3-chloro-4-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 39959255
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylindol-3-yl)acetamide
CID 166629500
N-methyl-1-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanamine
CID 66408219
2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol
CID 79355094

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyridinyl)-2-[1-(3,3-dimethylbutyl)indol-3-yl]acetamide?
The IUPAC name of N-(3-chloro-4-pyridinyl)-2-[1-(3,3-dimethylbutyl)indol-3-yl]acetamide (CID 141490391) is N-(3-chloro-4-pyridinyl)-2-[1-(3,3-dimethylbutyl)indol-3-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-pyridinyl)-2-[1-(3,3-dimethylbutyl)indol-3-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-pyridinyl)-2-[1-(3,3-dimethylbutyl)indol-3-yl]acetamide is CC(C)(C)CCn1cc(CC(=O)Nc2ccncc2Cl)c2ccccc21.
What is the InChIKey of N-(3-chloro-4-pyridinyl)-2-[1-(3,3-dimethylbutyl)indol-3-yl]acetamide?
The InChIKey is MLVQOROTXFRKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-21(2,3)9-11-25-14-15(16-6-4-5-7-19(16)25)12-20(26)24-18-8-10-23-13-17(18)22/h4-8,10,13-14H,9,11-12H2,1-3H3,(H,23,24,26).
What are the key properties of N-(3-chloro-4-pyridinyl)-2-[1-(3,3-dimethylbutyl)indol-3-yl]acetamide?
N-(3-chloro-4-pyridinyl)-2-[1-(3,3-dimethylbutyl)indol-3-yl]acetamide has a molecular weight of 369.90 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyridinyl)-2-[1-(3,3-dimethylbutyl)indol-3-yl]acetamide is sourced from PubChem (CID 141490391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).