5-nitro-N-(2-pyridin-2-ylethyl)-2,3-dihydro-1H-indol-4-amine

C15H16N4O2 — CID 133498377

IUPAC5-nitro-N-(2-pyridin-2-ylethyl)-2,3-dihydro-1H-indol-4-amine
SMILESO=[N+]([O-])c1ccc2c(c1NCCc1ccccn1)CCN2
InChIInChI=1S/C15H16N4O2/c20-19(21)14-5-4-13-12(7-10-17-13)15(14)18-9-6-11-3-1-2-8-16-11/h1-5,8,17-18H,6-7,9-10H2
InChIKeyJPXQCJHVYWDCFC-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.61
Rot. Bonds5

About 5-nitro-N-(2-pyridin-2-ylethyl)-2,3-dihydro-1H-indol-4-amine

5-nitro-N-(2-pyridin-2-ylethyl)-2,3-dihydro-1H-indol-4-amine (PubChem CID 133498377) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-nitro-N-(2-pyridin-2-ylethyl)-2,3-dihydro-1H-indol-4-amine.

Molecular Properties

Compound Name5-nitro-N-(2-pyridin-2-ylethyl)-2,3-dihydro-1H-indol-4-amine
PubChem CID133498377
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name5-nitro-N-(2-pyridin-2-ylethyl)-2,3-dihydro-1H-indol-4-amine
SMILESO=[N+]([O-])c1ccc2c(c1NCCc1ccccn1)CCN2
InChIInChI=1S/C15H16N4O2/c20-19(21)14-5-4-13-12(7-10-17-13)15(14)18-9-6-11-3-1-2-8-16-11/h1-5,8,17-18H,6-7,9-10H2
InChIKeyJPXQCJHVYWDCFC-UHFFFAOYSA-N
XLogP2.61
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
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

5-nitro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indol-4-amine
CID 133498252
1-nitro-N-(2-pyridin-2-ylethyl)acridin-9-amine;dihydrochloride
CID 21142984
2-nitro-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)aniline
CID 3783366
2-(2-pyridin-2-ylethylamino)benzene-1,3-dicarbonitrile
CID 133498376
2-(2-nitrophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 63063473
3,5-difluoro-2-nitro-N-(2-pyridin-2-ylethyl)aniline
CID 115507663
2-[2-(2-nitrophenoxy)ethyl]pyridine
CID 68857749
2-[(1S,2R)-2-[(5-nitro-2,3-dihydro-1H-indol-4-yl)amino]cyclopentyl]ethanol
CID 100663068
2-chloro-4-nitro-N-(2-pyridin-2-ylethyl)aniline
CID 9282895
2-methyl-4-nitro-N-(2-pyridin-2-ylethyl)aniline
CID 23104828
N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 125422349
5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine
CID 51117035

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(2-pyridin-2-ylethyl)-2,3-dihydro-1H-indol-4-amine?
The IUPAC name of 5-nitro-N-(2-pyridin-2-ylethyl)-2,3-dihydro-1H-indol-4-amine (CID 133498377) is 5-nitro-N-(2-pyridin-2-ylethyl)-2,3-dihydro-1H-indol-4-amine.
What is the SMILES notation for 5-nitro-N-(2-pyridin-2-ylethyl)-2,3-dihydro-1H-indol-4-amine?
The canonical SMILES for 5-nitro-N-(2-pyridin-2-ylethyl)-2,3-dihydro-1H-indol-4-amine is O=[N+]([O-])c1ccc2c(c1NCCc1ccccn1)CCN2.
What is the InChIKey of 5-nitro-N-(2-pyridin-2-ylethyl)-2,3-dihydro-1H-indol-4-amine?
The InChIKey is JPXQCJHVYWDCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-19(21)14-5-4-13-12(7-10-17-13)15(14)18-9-6-11-3-1-2-8-16-11/h1-5,8,17-18H,6-7,9-10H2.
What are the key properties of 5-nitro-N-(2-pyridin-2-ylethyl)-2,3-dihydro-1H-indol-4-amine?
5-nitro-N-(2-pyridin-2-ylethyl)-2,3-dihydro-1H-indol-4-amine has a molecular weight of 284.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(2-pyridin-2-ylethyl)-2,3-dihydro-1H-indol-4-amine is sourced from PubChem (CID 133498377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).