2,6-dichloro-N-(4-methoxyphenyl)-4-methyl-5-nitropyridine-3-carboxamide

C14H11Cl2N3O4 — CID 579114

IUPAC2,6-dichloro-N-(4-methoxyphenyl)-4-methyl-5-nitropyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(Cl)nc(Cl)c([N+](=O)[O-])c2C)cc1
InChIInChI=1S/C14H11Cl2N3O4/c1-7-10(12(15)18-13(16)11(7)19(21)22)14(20)17-8-3-5-9(23-2)6-4-8/h3-6H,1-2H3,(H,17,20)
InChIKeySDJADOWIVDICSZ-UHFFFAOYSA-N
MW356.17 g/mol
LogP3.87
Rot. Bonds4

About 2,6-dichloro-N-(4-methoxyphenyl)-4-methyl-5-nitropyridine-3-carboxamide

2,6-dichloro-N-(4-methoxyphenyl)-4-methyl-5-nitropyridine-3-carboxamide (PubChem CID 579114) has the molecular formula C14H11Cl2N3O4 and a molecular weight of 356.17 g/mol. Its IUPAC name is 2,6-dichloro-N-(4-methoxyphenyl)-4-methyl-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(4-methoxyphenyl)-4-methyl-5-nitropyridine-3-carboxamide
PubChem CID579114
Molecular FormulaC14H11Cl2N3O4
Molecular Weight356.17 g/mol
Exact Mass355.01
IUPAC Name2,6-dichloro-N-(4-methoxyphenyl)-4-methyl-5-nitropyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(Cl)nc(Cl)c([N+](=O)[O-])c2C)cc1
InChIInChI=1S/C14H11Cl2N3O4/c1-7-10(12(15)18-13(16)11(7)19(21)22)14(20)17-8-3-5-9(23-2)6-4-8/h3-6H,1-2H3,(H,17,20)
InChIKeySDJADOWIVDICSZ-UHFFFAOYSA-N
XLogP3.87
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(4-methoxyphenyl)-4-methyl-5-nitropyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-(4-methoxyphenyl)-4-methyl-5-nitropyridine-3-carboxamide (CID 579114) is 2,6-dichloro-N-(4-methoxyphenyl)-4-methyl-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(4-methoxyphenyl)-4-methyl-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(4-methoxyphenyl)-4-methyl-5-nitropyridine-3-carboxamide is COc1ccc(NC(=O)c2c(Cl)nc(Cl)c([N+](=O)[O-])c2C)cc1.
What is the InChIKey of 2,6-dichloro-N-(4-methoxyphenyl)-4-methyl-5-nitropyridine-3-carboxamide?
The InChIKey is SDJADOWIVDICSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O4/c1-7-10(12(15)18-13(16)11(7)19(21)22)14(20)17-8-3-5-9(23-2)6-4-8/h3-6H,1-2H3,(H,17,20).
What are the key properties of 2,6-dichloro-N-(4-methoxyphenyl)-4-methyl-5-nitropyridine-3-carboxamide?
2,6-dichloro-N-(4-methoxyphenyl)-4-methyl-5-nitropyridine-3-carboxamide has a molecular weight of 356.17 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(4-methoxyphenyl)-4-methyl-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 579114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).