N-benzyl-2-nitropyridine-3-carboxamide

C13H11N3O3 — CID 19034724

IUPACN-benzyl-2-nitropyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cccnc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O3/c17-13(15-9-10-5-2-1-3-6-10)11-7-4-8-14-12(11)16(18)19/h1-8H,9H2,(H,15,17)
InChIKeyCRCCKGNNNFQUND-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.92
Rot. Bonds4

About N-benzyl-2-nitropyridine-3-carboxamide

N-benzyl-2-nitropyridine-3-carboxamide (PubChem CID 19034724) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-benzyl-2-nitropyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-nitropyridine-3-carboxamide
PubChem CID19034724
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC NameN-benzyl-2-nitropyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cccnc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O3/c17-13(15-9-10-5-2-1-3-6-10)11-7-4-8-14-12(11)16(18)19/h1-8H,9H2,(H,15,17)
InChIKeyCRCCKGNNNFQUND-UHFFFAOYSA-N
XLogP1.92
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.92
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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Related Compounds

N-benzyl-2-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide
CID 8651047
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CID 107358761
N-benzyl-2-methyl-3-nitrobenzamide
CID 710984
N-benzyl-5-nitro-1H-imidazole-2-carboxamide
CID 155511655
N-benzyl-3-hydrazinyl-2-nitrobenzamide
CID 115549377
N-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide
CID 3656947
N-benzyl-3,5-dinitro(11C)benzamide
CID 71606848
N-benzyl-3,5-dinitrobenzamide
CID 4296325
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
N-benzyl-2-(3-bromoanilino)pyridine-3-carboxamide
CID 23632442
N-benzyl-4-cyano-1H-pyrrole-3-carboxamide
CID 59478029
N-benzyl-2-[(2-nitrobenzoyl)carbamothioylamino]benzamide
CID 4930570

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-nitropyridine-3-carboxamide?
The IUPAC name of N-benzyl-2-nitropyridine-3-carboxamide (CID 19034724) is N-benzyl-2-nitropyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-2-nitropyridine-3-carboxamide?
The canonical SMILES for N-benzyl-2-nitropyridine-3-carboxamide is O=C(NCc1ccccc1)c1cccnc1[N+](=O)[O-].
What is the InChIKey of N-benzyl-2-nitropyridine-3-carboxamide?
The InChIKey is CRCCKGNNNFQUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-13(15-9-10-5-2-1-3-6-10)11-7-4-8-14-12(11)16(18)19/h1-8H,9H2,(H,15,17).
What are the key properties of N-benzyl-2-nitropyridine-3-carboxamide?
N-benzyl-2-nitropyridine-3-carboxamide has a molecular weight of 257.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-nitropyridine-3-carboxamide is sourced from PubChem (CID 19034724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).