N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)pyridine-4-carboxamide

C21H13N5O — CID 166768817

IUPACN-(10H-indeno[2,3-b]quinoxalin-11-ylimino)pyridine-4-carboxamide
SMILESO=C(/N=N/c1c2[nH]c3ccccc3nc-2c2ccccc12)c1ccncc1
InChIInChI=1S/C21H13N5O/c27-21(13-9-11-22-12-10-13)26-25-19-15-6-2-1-5-14(15)18-20(19)24-17-8-4-3-7-16(17)23-18/h1-12,24H/b26-25+
InChIKeyDENLXHDNQQUWNB-OCEACIFDSA-N
MW351.37 g/mol
LogP5.14
Rot. Bonds2

About N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)pyridine-4-carboxamide

N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)pyridine-4-carboxamide (PubChem CID 166768817) has the molecular formula C21H13N5O and a molecular weight of 351.37 g/mol. Its IUPAC name is N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(10H-indeno[2,3-b]quinoxalin-11-ylimino)pyridine-4-carboxamide
PubChem CID166768817
Molecular FormulaC21H13N5O
Molecular Weight351.37 g/mol
Exact Mass351.11
IUPAC NameN-(10H-indeno[2,3-b]quinoxalin-11-ylimino)pyridine-4-carboxamide
SMILESO=C(/N=N/c1c2[nH]c3ccccc3nc-2c2ccccc12)c1ccncc1
InChIInChI=1S/C21H13N5O/c27-21(13-9-11-22-12-10-13)26-25-19-15-6-2-1-5-14(15)18-20(19)24-17-8-4-3-7-16(17)23-18/h1-12,24H/b26-25+
InChIKeyDENLXHDNQQUWNB-OCEACIFDSA-N
XLogP5.14
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.37
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)furan-2-carboxamide
CID 135840801
10H-indeno[2,3-b]quinoxalin-11-yldiazene
CID 759406
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 896334
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)triazole-4-carboxamide
CID 3143296
N-(1-acetyl-2-hydroxyindol-3-yl)iminopyridine-4-carboxamide
CID 3851869
N-[(2-hydroxy-1H-indol-3-yl)imino]pyridin-1-ium-4-carboxamide acetate
CID 135794083
4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 2309926
N-[2-hydroxy-1-(2-phenylethyl)indol-3-yl]iminopyridine-4-carboxamide
CID 1365608
N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]pyridine-4-carboxamide
CID 137172272
N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide
CID 828327
N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide
CID 821634
N'-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]pyridine-4-carbohydrazide
CID 4690916

Frequently Asked Questions

What is the IUPAC name of N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)pyridine-4-carboxamide?
The IUPAC name of N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)pyridine-4-carboxamide (CID 166768817) is N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)pyridine-4-carboxamide.
What is the SMILES notation for N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)pyridine-4-carboxamide?
The canonical SMILES for N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)pyridine-4-carboxamide is O=C(/N=N/c1c2[nH]c3ccccc3nc-2c2ccccc12)c1ccncc1.
What is the InChIKey of N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)pyridine-4-carboxamide?
The InChIKey is DENLXHDNQQUWNB-OCEACIFDSA-N. The full InChI is InChI=1S/C21H13N5O/c27-21(13-9-11-22-12-10-13)26-25-19-15-6-2-1-5-14(15)18-20(19)24-17-8-4-3-7-16(17)23-18/h1-12,24H/b26-25+.
What are the key properties of N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)pyridine-4-carboxamide?
N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)pyridine-4-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10H-indeno[2,3-b]quinoxalin-11-ylimino)pyridine-4-carboxamide is sourced from PubChem (CID 166768817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).