N-(8-cyano-5-nitronaphthalen-1-yl)pyridine-2-carboxamide

C17H10N4O3 — CID 139242181

IUPACN-(8-cyano-5-nitronaphthalen-1-yl)pyridine-2-carboxamide
SMILESN#Cc1ccc([N+](=O)[O-])c2cccc(NC(=O)c3ccccn3)c12
InChIInChI=1S/C17H10N4O3/c18-10-11-7-8-15(21(23)24)12-4-3-6-13(16(11)12)20-17(22)14-5-1-2-9-19-14/h1-9H,(H,20,22)
InChIKeyGNDZBRTXXOGIBQ-UHFFFAOYSA-N
MW318.29 g/mol
LogP3.27
Rot. Bonds3

About N-(8-cyano-5-nitronaphthalen-1-yl)pyridine-2-carboxamide

N-(8-cyano-5-nitronaphthalen-1-yl)pyridine-2-carboxamide (PubChem CID 139242181) has the molecular formula C17H10N4O3 and a molecular weight of 318.29 g/mol. Its IUPAC name is N-(8-cyano-5-nitronaphthalen-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(8-cyano-5-nitronaphthalen-1-yl)pyridine-2-carboxamide
PubChem CID139242181
Molecular FormulaC17H10N4O3
Molecular Weight318.29 g/mol
Exact Mass318.08
IUPAC NameN-(8-cyano-5-nitronaphthalen-1-yl)pyridine-2-carboxamide
SMILESN#Cc1ccc([N+](=O)[O-])c2cccc(NC(=O)c3ccccn3)c12
InChIInChI=1S/C17H10N4O3/c18-10-11-7-8-15(21(23)24)12-4-3-6-13(16(11)12)20-17(22)14-5-1-2-9-19-14/h1-9H,(H,20,22)
InChIKeyGNDZBRTXXOGIBQ-UHFFFAOYSA-N
XLogP3.27
TPSA108.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
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

N-(5-fluoro-2-nitrophenyl)pyridine-2-carboxamide
CID 110461612
N-(5-cyano-4-nitronaphthalen-1-yl)acetamide
CID 10264330
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
4-cyano-N-(2-nitrophenyl)benzamide
CID 103601565
N-(5-cyano-8-methyl-4-nitronaphthalen-1-yl)acetamide
CID 10061609
2-nitro-N-quinolin-8-ylnaphthalene-1-carboxamide
CID 134950470
4-(2-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222697
N-(2-cyanophenyl)-4-(2,3-dichloroanilino)pyridine-2-carboxamide
CID 109222663
2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide
CID 15997975
N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 63024235
N-[5-(4-methylphenyl)naphthalen-1-yl]pyridine-2-carboxamide
CID 139242174

Frequently Asked Questions

What is the IUPAC name of N-(8-cyano-5-nitronaphthalen-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(8-cyano-5-nitronaphthalen-1-yl)pyridine-2-carboxamide (CID 139242181) is N-(8-cyano-5-nitronaphthalen-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(8-cyano-5-nitronaphthalen-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(8-cyano-5-nitronaphthalen-1-yl)pyridine-2-carboxamide is N#Cc1ccc([N+](=O)[O-])c2cccc(NC(=O)c3ccccn3)c12.
What is the InChIKey of N-(8-cyano-5-nitronaphthalen-1-yl)pyridine-2-carboxamide?
The InChIKey is GNDZBRTXXOGIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4O3/c18-10-11-7-8-15(21(23)24)12-4-3-6-13(16(11)12)20-17(22)14-5-1-2-9-19-14/h1-9H,(H,20,22).
What are the key properties of N-(8-cyano-5-nitronaphthalen-1-yl)pyridine-2-carboxamide?
N-(8-cyano-5-nitronaphthalen-1-yl)pyridine-2-carboxamide has a molecular weight of 318.29 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-cyano-5-nitronaphthalen-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 139242181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).