N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-pyridin-2-yloxyacetamide

C18H18ClN3O2 — CID 46971540

IUPACN-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-pyridin-2-yloxyacetamide
SMILESCn1cc(CCNC(=O)COc2ccccn2)c2cc(Cl)ccc21
InChIInChI=1S/C18H18ClN3O2/c1-22-11-13(15-10-14(19)5-6-16(15)22)7-9-20-17(23)12-24-18-4-2-3-8-21-18/h2-6,8,10-11H,7,9,12H2,1H3,(H,20,23)
InChIKeyUSBMJFUHVFQBSD-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.96
Rot. Bonds6

About N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-pyridin-2-yloxyacetamide

N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-pyridin-2-yloxyacetamide (PubChem CID 46971540) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-pyridin-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-pyridin-2-yloxyacetamide
PubChem CID46971540
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC NameN-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-pyridin-2-yloxyacetamide
SMILESCn1cc(CCNC(=O)COc2ccccn2)c2cc(Cl)ccc21
InChIInChI=1S/C18H18ClN3O2/c1-22-11-13(15-10-14(19)5-6-16(15)22)7-9-20-17(23)12-24-18-4-2-3-8-21-18/h2-6,8,10-11H,7,9,12H2,1H3,(H,20,23)
InChIKeyUSBMJFUHVFQBSD-UHFFFAOYSA-N
XLogP2.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 46978356
3-(1-methylindol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 71702593
2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 82495529
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
N-[2-(1-methyl-5-phenylmethoxyindol-3-yl)ethyl]propanamide
CID 84580371
2-(3-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[(2-pyridin-2-yloxyacetyl)amino]butyl]acetamide
CID 155303020
methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate
CID 14613226
2-acetamido-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 11196581
2-fluoro-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide
CID 84579411
5-chloro-1-methyl-3-(pyridin-3-yloxymethyl)indole
CID 117175188
N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-ethoxyacetamide
CID 99825750
2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
CID 53145052

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-pyridin-2-yloxyacetamide?
The IUPAC name of N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-pyridin-2-yloxyacetamide (CID 46971540) is N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-pyridin-2-yloxyacetamide.
What is the SMILES notation for N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-pyridin-2-yloxyacetamide?
The canonical SMILES for N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-pyridin-2-yloxyacetamide is Cn1cc(CCNC(=O)COc2ccccn2)c2cc(Cl)ccc21.
What is the InChIKey of N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-pyridin-2-yloxyacetamide?
The InChIKey is USBMJFUHVFQBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-22-11-13(15-10-14(19)5-6-16(15)22)7-9-20-17(23)12-24-18-4-2-3-8-21-18/h2-6,8,10-11H,7,9,12H2,1H3,(H,20,23).
What are the key properties of N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-pyridin-2-yloxyacetamide?
N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-pyridin-2-yloxyacetamide has a molecular weight of 343.81 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-pyridin-2-yloxyacetamide is sourced from PubChem (CID 46971540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).