2-amino-4-(1H-indol-3-yl)-6-(2-nitrophenyl)pyridine-3-carbonitrile

C20H13N5O2 — CID 10594341

IUPAC2-amino-4-(1H-indol-3-yl)-6-(2-nitrophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2c[nH]c3ccccc23)cc(-c2ccccc2[N+](=O)[O-])nc1N
InChIInChI=1S/C20H13N5O2/c21-10-15-14(16-11-23-17-7-3-1-5-12(16)17)9-18(24-20(15)22)13-6-2-4-8-19(13)25(26)27/h1-9,11,23H,(H2,22,24)
InChIKeyIFNPGSAEKCBZDS-UHFFFAOYSA-N
MW355.36 g/mol
LogP4.26
Rot. Bonds3

About 2-amino-4-(1H-indol-3-yl)-6-(2-nitrophenyl)pyridine-3-carbonitrile

2-amino-4-(1H-indol-3-yl)-6-(2-nitrophenyl)pyridine-3-carbonitrile (PubChem CID 10594341) has the molecular formula C20H13N5O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-amino-4-(1H-indol-3-yl)-6-(2-nitrophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(1H-indol-3-yl)-6-(2-nitrophenyl)pyridine-3-carbonitrile
PubChem CID10594341
Molecular FormulaC20H13N5O2
Molecular Weight355.36 g/mol
Exact Mass355.11
IUPAC Name2-amino-4-(1H-indol-3-yl)-6-(2-nitrophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2c[nH]c3ccccc23)cc(-c2ccccc2[N+](=O)[O-])nc1N
InChIInChI=1S/C20H13N5O2/c21-10-15-14(16-11-23-17-7-3-1-5-12(16)17)9-18(24-20(15)22)13-6-2-4-8-19(13)25(26)27/h1-9,11,23H,(H2,22,24)
InChIKeyIFNPGSAEKCBZDS-UHFFFAOYSA-N
XLogP4.26
TPSA121.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 54.26
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

2-amino-6-(4-bromophenyl)-4-(1H-indol-3-yl)pyridine-3-carbonitrile
CID 10572392
2-amino-4-(1H-indol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile
CID 56750461
2-amino-4-(furan-3-yl)-6-(1H-indol-3-yl)pyridine-3-carbonitrile
CID 56873920
methyl 4-[2-amino-3-cyano-6-(2-nitrophenyl)-4-pyridinyl]benzoate
CID 5229288
2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile
CID 5229296
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(2-nitrophenyl)pyridine-3-carbonitrile
CID 5229295
3,6-diamino-5-cyano-4-(1H-indol-3-yl)-N-(4-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 134159488
2-amino-4-(2-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5258576
2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230675
2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-fluorophenyl)pyridine-3-carbonitrile
CID 5119563
2-amino-6-(2-bromophenyl)-4-(2-chloro-5-nitrophenyl)pyridine-3-carbonitrile
CID 5117890
2-amino-6-(1H-benzimidazol-2-yl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 73353825

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1H-indol-3-yl)-6-(2-nitrophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(1H-indol-3-yl)-6-(2-nitrophenyl)pyridine-3-carbonitrile (CID 10594341) is 2-amino-4-(1H-indol-3-yl)-6-(2-nitrophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(1H-indol-3-yl)-6-(2-nitrophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(1H-indol-3-yl)-6-(2-nitrophenyl)pyridine-3-carbonitrile is N#Cc1c(-c2c[nH]c3ccccc23)cc(-c2ccccc2[N+](=O)[O-])nc1N.
What is the InChIKey of 2-amino-4-(1H-indol-3-yl)-6-(2-nitrophenyl)pyridine-3-carbonitrile?
The InChIKey is IFNPGSAEKCBZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O2/c21-10-15-14(16-11-23-17-7-3-1-5-12(16)17)9-18(24-20(15)22)13-6-2-4-8-19(13)25(26)27/h1-9,11,23H,(H2,22,24).
What are the key properties of 2-amino-4-(1H-indol-3-yl)-6-(2-nitrophenyl)pyridine-3-carbonitrile?
2-amino-4-(1H-indol-3-yl)-6-(2-nitrophenyl)pyridine-3-carbonitrile has a molecular weight of 355.36 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1H-indol-3-yl)-6-(2-nitrophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 10594341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).