2,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-4-carboxamide

C13H9Cl2N3O3 — CID 43090842

IUPAC2,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-4-carboxamide
SMILESCN(C(=O)c1cc(Cl)nc(Cl)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H9Cl2N3O3/c1-17(9-2-4-10(5-3-9)18(20)21)13(19)8-6-11(14)16-12(15)7-8/h2-7H,1H3
InChIKeyXYTGZPYHTGGOJG-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.57
Rot. Bonds3

About 2,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-4-carboxamide

2,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-4-carboxamide (PubChem CID 43090842) has the molecular formula C13H9Cl2N3O3 and a molecular weight of 326.14 g/mol. Its IUPAC name is 2,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-4-carboxamide
PubChem CID43090842
Molecular FormulaC13H9Cl2N3O3
Molecular Weight326.14 g/mol
Exact Mass325.00
IUPAC Name2,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-4-carboxamide
SMILESCN(C(=O)c1cc(Cl)nc(Cl)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H9Cl2N3O3/c1-17(9-2-4-10(5-3-9)18(20)21)13(19)8-6-11(14)16-12(15)7-8/h2-7H,1H3
InChIKeyXYTGZPYHTGGOJG-UHFFFAOYSA-N
XLogP3.57
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

3,5-dibromo-N-methyl-N-(4-nitrophenyl)benzamide
CID 103910103
2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 61062805
3,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-2-carboxamide
CID 28880822
5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide
CID 141401921
methyl 4-[methyl-[4-[methyl-[4-[methyl-(4-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoate
CID 132533381
N-methyl-4-nitro-N-pyridin-3-ylbenzamide
CID 59607131
3-chloro-N-methyl-4-nitro-N-pyridin-4-ylbenzamide
CID 106934877
N-(4-cyanophenyl)-N-methyl-3-nitrobenzamide
CID 62983456
2-amino-6-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide
CID 62161111
2-chloro-6-hydrazinyl-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide
CID 62249266
N-methyl-3-nitro-N-pyrimidin-5-ylbenzamide
CID 69180461
2-chloro-N-methyl-4-nitro-N-phenylbenzamide
CID 799115

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-4-carboxamide (CID 43090842) is 2,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-4-carboxamide is CN(C(=O)c1cc(Cl)nc(Cl)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-4-carboxamide?
The InChIKey is XYTGZPYHTGGOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O3/c1-17(9-2-4-10(5-3-9)18(20)21)13(19)8-6-11(14)16-12(15)7-8/h2-7H,1H3.
What are the key properties of 2,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-4-carboxamide?
2,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-4-carboxamide has a molecular weight of 326.14 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 43090842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).