2-(5-chloro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

C18H18ClN3O — CID 110411692

IUPAC2-(5-chloro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)Cc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H18ClN3O/c1-22(9-6-13-4-7-20-8-5-13)18(23)10-14-12-21-17-3-2-15(19)11-16(14)17/h2-5,7-8,11-12,21H,6,9-10H2,1H3
InChIKeyMTINJHYKDOKUTN-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.46
Rot. Bonds5

About 2-(5-chloro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

2-(5-chloro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 110411692) has the molecular formula C18H18ClN3O and a molecular weight of 327.81 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID110411692
Molecular FormulaC18H18ClN3O
Molecular Weight327.81 g/mol
Exact Mass327.11
IUPAC Name2-(5-chloro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)Cc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H18ClN3O/c1-22(9-6-13-4-7-20-8-5-13)18(23)10-14-12-21-17-3-2-15(19)11-16(14)17/h2-5,7-8,11-12,21H,6,9-10H2,1H3
InChIKeyMTINJHYKDOKUTN-UHFFFAOYSA-N
XLogP3.46
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-2-(5-chloro-1H-indol-3-yl)-N-methylacetamide
CID 110415872
2-(6-fluoro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113209385
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605
2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 43429962
2-(5-chloro-1H-indol-3-yl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide
CID 99702664
2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 56826483
2-(5-chloro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 75435791
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 28711694
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 61051888
1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-one
CID 166554148
2-(5-chloro-1H-indol-3-yl)acetate
CID 21122976

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (CID 110411692) is 2-(5-chloro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is CN(CCc1ccncc1)C(=O)Cc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is MTINJHYKDOKUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-22(9-6-13-4-7-20-8-5-13)18(23)10-14-12-21-17-3-2-15(19)11-16(14)17/h2-5,7-8,11-12,21H,6,9-10H2,1H3.
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
2-(5-chloro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 327.81 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 110411692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).