N-(6-chloro-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide

C16H14ClN3O2 — CID 91822344

IUPACN-(6-chloro-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide
SMILESCn1ccc2c(OCC(=O)Nc3ccc(Cl)nc3)cccc21
InChIInChI=1S/C16H14ClN3O2/c1-20-8-7-12-13(20)3-2-4-14(12)22-10-16(21)19-11-5-6-15(17)18-9-11/h2-9H,10H2,1H3,(H,19,21)
InChIKeyGOPAFAWRQBRSBB-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.24
Rot. Bonds4

About N-(6-chloro-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide

N-(6-chloro-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide (PubChem CID 91822344) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide
PubChem CID91822344
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC NameN-(6-chloro-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide
SMILESCn1ccc2c(OCC(=O)Nc3ccc(Cl)nc3)cccc21
InChIInChI=1S/C16H14ClN3O2/c1-20-8-7-12-13(20)3-2-4-14(12)22-10-16(21)19-11-5-6-15(17)18-9-11/h2-9H,10H2,1H3,(H,19,21)
InChIKeyGOPAFAWRQBRSBB-UHFFFAOYSA-N
XLogP3.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenoxy)-N-(6-chloro-3-pyridinyl)acetamide
CID 54787980
N-(3,4-dichlorophenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293114
N-(2-methoxy-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide
CID 91821935
2-(2-tert-butylphenoxy)-N-(6-chloro-3-pyridinyl)acetamide
CID 54787974
2-(1-methylindol-4-yl)oxy-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 91822510
N-[2-(4-chlorophenoxy)ethyl]-2-(1-methylindol-4-yl)oxyacetamide
CID 110205383
2-(1-methylindol-4-yl)oxy-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 91821588
N-methyl-2-[2-[[2-(1-methylindol-4-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 91823289
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(4-methylphenyl)acetamide
CID 43985187
N-(3-chloro-4-methylphenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293115
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide
CID 7293077
N-(4-hydroxyphenyl)-2-(1-propan-2-ylindol-4-yl)oxyacetamide
CID 91821459

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide (CID 91822344) is N-(6-chloro-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide is Cn1ccc2c(OCC(=O)Nc3ccc(Cl)nc3)cccc21.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide?
The InChIKey is GOPAFAWRQBRSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-20-8-7-12-13(20)3-2-4-14(12)22-10-16(21)19-11-5-6-15(17)18-9-11/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of N-(6-chloro-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide?
N-(6-chloro-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide has a molecular weight of 315.76 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide is sourced from PubChem (CID 91822344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).