3,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-2-carboxamide

C13H9Cl2N3O3 — CID 28880822

IUPAC3,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-2-carboxamide
SMILESCN(C(=O)c1nc(Cl)ccc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H9Cl2N3O3/c1-17(8-2-4-9(5-3-8)18(20)21)13(19)12-10(14)6-7-11(15)16-12/h2-7H,1H3
InChIKeyOCXRFVVSQPPSRS-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.57
Rot. Bonds3

About 3,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-2-carboxamide

3,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-2-carboxamide (PubChem CID 28880822) has the molecular formula C13H9Cl2N3O3 and a molecular weight of 326.14 g/mol. Its IUPAC name is 3,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-2-carboxamide
PubChem CID28880822
Molecular FormulaC13H9Cl2N3O3
Molecular Weight326.14 g/mol
Exact Mass325.00
IUPAC Name3,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-2-carboxamide
SMILESCN(C(=O)c1nc(Cl)ccc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H9Cl2N3O3/c1-17(8-2-4-9(5-3-8)18(20)21)13(19)12-10(14)6-7-11(15)16-12/h2-7H,1H3
InChIKeyOCXRFVVSQPPSRS-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

2,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-4-carboxamide
CID 43090842
5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide
CID 141401921
3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 60644776
3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 60651020
3,5-dibromo-N-methyl-N-(4-nitrophenyl)benzamide
CID 103910103
2-chloro-N-methyl-4-nitro-N-phenylbenzamide
CID 799115
methyl 4-[methyl-[4-[methyl-[4-[methyl-(4-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoate
CID 132533381
3-bromo-N-methyl-N-(4-nitrophenyl)thiophene-2-carboxamide
CID 60778208
2-[[methyl-(4-nitrophenyl)carbamoyl]amino]acetic acid
CID 43445668
3,6-dichloro-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 60659860
3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide
CID 26819882
1-chloroethyl N-methyl-N-(4-nitrophenyl)carbamate
CID 70215263

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-2-carboxamide (CID 28880822) is 3,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-2-carboxamide is CN(C(=O)c1nc(Cl)ccc1Cl)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is OCXRFVVSQPPSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O3/c1-17(8-2-4-9(5-3-8)18(20)21)13(19)12-10(14)6-7-11(15)16-12/h2-7H,1H3.
What are the key properties of 3,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-2-carboxamide?
3,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-2-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 3,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 28880822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).