2-iodo-N-(1-methyl-6-oxo-3-pyridinyl)-5-nitrobenzamide

C13H10IN3O4 — CID 61041820

IUPAC2-iodo-N-(1-methyl-6-oxo-3-pyridinyl)-5-nitrobenzamide
SMILESCn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2I)ccc1=O
InChIInChI=1S/C13H10IN3O4/c1-16-7-8(2-5-12(16)18)15-13(19)10-6-9(17(20)21)3-4-11(10)14/h2-7H,1H3,(H,15,19)
InChIKeyGTNJXIMIEDXROV-UHFFFAOYSA-N
MW399.14 g/mol
LogP2.15
Rot. Bonds3

About 2-iodo-N-(1-methyl-6-oxo-3-pyridinyl)-5-nitrobenzamide

2-iodo-N-(1-methyl-6-oxo-3-pyridinyl)-5-nitrobenzamide (PubChem CID 61041820) has the molecular formula C13H10IN3O4 and a molecular weight of 399.14 g/mol. Its IUPAC name is 2-iodo-N-(1-methyl-6-oxo-3-pyridinyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-iodo-N-(1-methyl-6-oxo-3-pyridinyl)-5-nitrobenzamide
PubChem CID61041820
Molecular FormulaC13H10IN3O4
Molecular Weight399.14 g/mol
Exact Mass398.97
IUPAC Name2-iodo-N-(1-methyl-6-oxo-3-pyridinyl)-5-nitrobenzamide
SMILESCn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2I)ccc1=O
InChIInChI=1S/C13H10IN3O4/c1-16-7-8(2-5-12(16)18)15-13(19)10-6-9(17(20)21)3-4-11(10)14/h2-7H,1H3,(H,15,19)
InChIKeyGTNJXIMIEDXROV-UHFFFAOYSA-N
XLogP2.15
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.14
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-iodo-N-(4-iodophenyl)-5-nitrobenzamide
CID 38888111
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide
CID 38887087
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-iodo-5-nitrobenzamide
CID 38884952
N-[4-(difluoromethoxy)phenyl]-2-iodo-5-nitrobenzamide
CID 38902692
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-iodo-5-nitrobenzamide
CID 55684577
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-iodo-5-nitrobenzamide
CID 65486427
N-(3-chloro-5-fluorophenyl)-2-iodo-5-nitrobenzamide
CID 103774972
2-iodo-5-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 38922652
N-(3-ethylpentan-3-yl)-2-iodo-5-nitrobenzamide
CID 65039144
2-iodo-5-nitro-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55921002
N-(3,3-dimethylbutan-2-yl)-2-iodo-5-nitrobenzamide
CID 113234669

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(1-methyl-6-oxo-3-pyridinyl)-5-nitrobenzamide?
The IUPAC name of 2-iodo-N-(1-methyl-6-oxo-3-pyridinyl)-5-nitrobenzamide (CID 61041820) is 2-iodo-N-(1-methyl-6-oxo-3-pyridinyl)-5-nitrobenzamide.
What is the SMILES notation for 2-iodo-N-(1-methyl-6-oxo-3-pyridinyl)-5-nitrobenzamide?
The canonical SMILES for 2-iodo-N-(1-methyl-6-oxo-3-pyridinyl)-5-nitrobenzamide is Cn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2I)ccc1=O.
What is the InChIKey of 2-iodo-N-(1-methyl-6-oxo-3-pyridinyl)-5-nitrobenzamide?
The InChIKey is GTNJXIMIEDXROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10IN3O4/c1-16-7-8(2-5-12(16)18)15-13(19)10-6-9(17(20)21)3-4-11(10)14/h2-7H,1H3,(H,15,19).
What are the key properties of 2-iodo-N-(1-methyl-6-oxo-3-pyridinyl)-5-nitrobenzamide?
2-iodo-N-(1-methyl-6-oxo-3-pyridinyl)-5-nitrobenzamide has a molecular weight of 399.14 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(1-methyl-6-oxo-3-pyridinyl)-5-nitrobenzamide is sourced from PubChem (CID 61041820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).