2-(4-nitroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide

C17H16N4O3 — CID 71827821

IUPAC2-(4-nitroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
SMILESO=C(Cn1ccc2c([N+](=O)[O-])cccc21)NCCc1ccccn1
InChIInChI=1S/C17H16N4O3/c22-17(19-10-7-13-4-1-2-9-18-13)12-20-11-8-14-15(20)5-3-6-16(14)21(23)24/h1-6,8-9,11H,7,10,12H2,(H,19,22)
InChIKeyINBWHOPWRALLAZ-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.30
Rot. Bonds6

About 2-(4-nitroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide

2-(4-nitroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 71827821) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(4-nitroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-nitroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID71827821
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-(4-nitroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
SMILESO=C(Cn1ccc2c([N+](=O)[O-])cccc21)NCCc1ccccn1
InChIInChI=1S/C17H16N4O3/c22-17(19-10-7-13-4-1-2-9-18-13)12-20-11-8-14-15(20)5-3-6-16(14)21(23)24/h1-6,8-9,11H,7,10,12H2,(H,19,22)
InChIKeyINBWHOPWRALLAZ-UHFFFAOYSA-N
XLogP2.30
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-2-(4-nitroindol-1-yl)acetamide
CID 71827851
2-(6-fluoroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 71708934
N-(2-methylbutan-2-yl)-2-(4-nitroindol-1-yl)acetamide
CID 115635433
2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 27554275
2-amino-3-nitro-N-(2-pyridin-2-ylethyl)benzamide
CID 115677648
3-methyl-1-(4-nitroindol-1-yl)butan-2-one
CID 79396035
N-[3-(4-nitroindol-1-yl)propyl]acetamide
CID 75446448
1-(2-methoxyethyl)-N-(2-pyridin-2-ylethyl)indole-4-carboxamide
CID 71701248
1-[2-(1-methylimidazol-2-yl)ethyl]-4-nitroindole
CID 114531926
2-[2-(2-nitrophenoxy)ethyl]pyridine
CID 68857749
2-(6-bromoindol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 29132462
2-(4-aminopyrazol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 43382460

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-(4-nitroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide (CID 71827821) is 2-(4-nitroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-(4-nitroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-(4-nitroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide is O=C(Cn1ccc2c([N+](=O)[O-])cccc21)NCCc1ccccn1.
What is the InChIKey of 2-(4-nitroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is INBWHOPWRALLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-17(19-10-7-13-4-1-2-9-18-13)12-20-11-8-14-15(20)5-3-6-16(14)21(23)24/h1-6,8-9,11H,7,10,12H2,(H,19,22).
What are the key properties of 2-(4-nitroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide?
2-(4-nitroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 324.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitroindol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 71827821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).