(5-nitro-3-phenyl-1H-indol-2-yl) N-pyridin-2-ylcarbamate

C20H14N4O4 — CID 68849329

IUPAC(5-nitro-3-phenyl-1H-indol-2-yl) N-pyridin-2-ylcarbamate
SMILESO=C(Nc1ccccn1)Oc1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1
InChIInChI=1S/C20H14N4O4/c25-20(23-17-8-4-5-11-21-17)28-19-18(13-6-2-1-3-7-13)15-12-14(24(26)27)9-10-16(15)22-19/h1-12,22H,(H,21,23,25)
InChIKeyUVEMWPLYVDNVMH-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.75
Rot. Bonds4

About (5-nitro-3-phenyl-1H-indol-2-yl) N-pyridin-2-ylcarbamate

(5-nitro-3-phenyl-1H-indol-2-yl) N-pyridin-2-ylcarbamate (PubChem CID 68849329) has the molecular formula C20H14N4O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is (5-nitro-3-phenyl-1H-indol-2-yl) N-pyridin-2-ylcarbamate.

Molecular Properties

Compound Name(5-nitro-3-phenyl-1H-indol-2-yl) N-pyridin-2-ylcarbamate
PubChem CID68849329
Molecular FormulaC20H14N4O4
Molecular Weight374.36 g/mol
Exact Mass374.10
IUPAC Name(5-nitro-3-phenyl-1H-indol-2-yl) N-pyridin-2-ylcarbamate
SMILESO=C(Nc1ccccn1)Oc1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1
InChIInChI=1S/C20H14N4O4/c25-20(23-17-8-4-5-11-21-17)28-19-18(13-6-2-1-3-7-13)15-12-14(24(26)27)9-10-16(15)22-19/h1-12,22H,(H,21,23,25)
InChIKeyUVEMWPLYVDNVMH-UHFFFAOYSA-N
XLogP4.75
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.75
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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Frequently Asked Questions

What is the IUPAC name of (5-nitro-3-phenyl-1H-indol-2-yl) N-pyridin-2-ylcarbamate?
The IUPAC name of (5-nitro-3-phenyl-1H-indol-2-yl) N-pyridin-2-ylcarbamate (CID 68849329) is (5-nitro-3-phenyl-1H-indol-2-yl) N-pyridin-2-ylcarbamate.
What is the SMILES notation for (5-nitro-3-phenyl-1H-indol-2-yl) N-pyridin-2-ylcarbamate?
The canonical SMILES for (5-nitro-3-phenyl-1H-indol-2-yl) N-pyridin-2-ylcarbamate is O=C(Nc1ccccn1)Oc1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1.
What is the InChIKey of (5-nitro-3-phenyl-1H-indol-2-yl) N-pyridin-2-ylcarbamate?
The InChIKey is UVEMWPLYVDNVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O4/c25-20(23-17-8-4-5-11-21-17)28-19-18(13-6-2-1-3-7-13)15-12-14(24(26)27)9-10-16(15)22-19/h1-12,22H,(H,21,23,25).
What are the key properties of (5-nitro-3-phenyl-1H-indol-2-yl) N-pyridin-2-ylcarbamate?
(5-nitro-3-phenyl-1H-indol-2-yl) N-pyridin-2-ylcarbamate has a molecular weight of 374.36 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitro-3-phenyl-1H-indol-2-yl) N-pyridin-2-ylcarbamate is sourced from PubChem (CID 68849329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).