5-nitro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide

C14H12N4O3 — CID 10589099

IUPAC5-nitro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H12N4O3/c19-14(16-11-2-1-6-15-9-11)17-7-5-10-8-12(18(20)21)3-4-13(10)17/h1-4,6,8-9H,5,7H2,(H,16,19)
InChIKeyVBIZDMWYWUAKCO-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.58
Rot. Bonds2

About 5-nitro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide

5-nitro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (PubChem CID 10589099) has the molecular formula C14H12N4O3 and a molecular weight of 284.27 g/mol. Its IUPAC name is 5-nitro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-nitro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
PubChem CID10589099
Molecular FormulaC14H12N4O3
Molecular Weight284.27 g/mol
Exact Mass284.09
IUPAC Name5-nitro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H12N4O3/c19-14(16-11-2-1-6-15-9-11)17-7-5-10-8-12(18(20)21)3-4-13(10)17/h1-4,6,8-9H,5,7H2,(H,16,19)
InChIKeyVBIZDMWYWUAKCO-UHFFFAOYSA-N
XLogP2.58
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-nitro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (CID 10589099) is 5-nitro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-nitro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-nitro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is O=C(Nc1cccnc1)N1CCc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 5-nitro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The InChIKey is VBIZDMWYWUAKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c19-14(16-11-2-1-6-15-9-11)17-7-5-10-8-12(18(20)21)3-4-13(10)17/h1-4,6,8-9H,5,7H2,(H,16,19).
What are the key properties of 5-nitro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
5-nitro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide has a molecular weight of 284.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10589099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).