2-(4-chloroindol-1-yl)-N-pyridin-4-ylacetamide

C15H12ClN3O — CID 52899114

IUPAC2-(4-chloroindol-1-yl)-N-pyridin-4-ylacetamide
SMILESO=C(Cn1ccc2c(Cl)cccc21)Nc1ccncc1
InChIInChI=1S/C15H12ClN3O/c16-13-2-1-3-14-12(13)6-9-19(14)10-15(20)18-11-4-7-17-8-5-11/h1-9H,10H2,(H,17,18,20)
InChIKeyOETVCHMCOZRLLJ-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.33
Rot. Bonds3

About 2-(4-chloroindol-1-yl)-N-pyridin-4-ylacetamide

2-(4-chloroindol-1-yl)-N-pyridin-4-ylacetamide (PubChem CID 52899114) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-(4-chloroindol-1-yl)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-chloroindol-1-yl)-N-pyridin-4-ylacetamide
PubChem CID52899114
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name2-(4-chloroindol-1-yl)-N-pyridin-4-ylacetamide
SMILESO=C(Cn1ccc2c(Cl)cccc21)Nc1ccncc1
InChIInChI=1S/C15H12ClN3O/c16-13-2-1-3-14-12(13)6-9-19(14)10-15(20)18-11-4-7-17-8-5-11/h1-9H,10H2,(H,17,18,20)
InChIKeyOETVCHMCOZRLLJ-UHFFFAOYSA-N
XLogP3.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloroindol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 39334901
2-(4-chloroindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 71704022
2-(4-chloroindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116623796
2-(4-chloroindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 116623818
2-(8-fluoro-4-oxoquinolin-1-yl)-N-pyridin-4-ylacetamide
CID 43832572
(2R)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid
CID 45496037
6-[[2-(4-chloroindol-1-yl)acetyl]amino]hexanoic acid
CID 45492894
2-(2-oxopyrimidin-1-yl)-N-pyridin-4-ylacetamide
CID 39954106
2-(4-chloroindol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 39314339
2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide
CID 39953760
2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide
CID 30558852
2,6-dichloro-N-[2-methyl-1-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzimidazol-4-yl]benzamide
CID 54430863

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroindol-1-yl)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(4-chloroindol-1-yl)-N-pyridin-4-ylacetamide (CID 52899114) is 2-(4-chloroindol-1-yl)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(4-chloroindol-1-yl)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(4-chloroindol-1-yl)-N-pyridin-4-ylacetamide is O=C(Cn1ccc2c(Cl)cccc21)Nc1ccncc1.
What is the InChIKey of 2-(4-chloroindol-1-yl)-N-pyridin-4-ylacetamide?
The InChIKey is OETVCHMCOZRLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-13-2-1-3-14-12(13)6-9-19(14)10-15(20)18-11-4-7-17-8-5-11/h1-9H,10H2,(H,17,18,20).
What are the key properties of 2-(4-chloroindol-1-yl)-N-pyridin-4-ylacetamide?
2-(4-chloroindol-1-yl)-N-pyridin-4-ylacetamide has a molecular weight of 285.73 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroindol-1-yl)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 52899114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).