3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide

C14H12Cl3N3O — CID 60912008

IUPAC3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1Cl
InChIInChI=1S/C14H12Cl3N3O/c1-20(2)11-5-3-8(7-10(11)16)18-14(21)13-9(15)4-6-12(17)19-13/h3-7H,1-2H3,(H,18,21)
InChIKeyGOMBSMKTAALETM-UHFFFAOYSA-N
MW344.63 g/mol
LogP4.36
Rot. Bonds3

About 3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide

3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide (PubChem CID 60912008) has the molecular formula C14H12Cl3N3O and a molecular weight of 344.63 g/mol. Its IUPAC name is 3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide
PubChem CID60912008
Molecular FormulaC14H12Cl3N3O
Molecular Weight344.63 g/mol
Exact Mass343.00
IUPAC Name3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1Cl
InChIInChI=1S/C14H12Cl3N3O/c1-20(2)11-5-3-8(7-10(11)16)18-14(21)13-9(15)4-6-12(17)19-13/h3-7H,1-2H3,(H,18,21)
InChIKeyGOMBSMKTAALETM-UHFFFAOYSA-N
XLogP4.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.63
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide
CID 26719883
3,6-dichloro-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 26719813
3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide
CID 78929855
6-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 103875218
3,6-dichloro-N-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 26721473
3,6-dichloro-N-(3-hydroxyphenyl)pyridine-2-carboxamide
CID 60692218
N-(4-bromo-3-methoxyphenyl)-3,6-dichloropyridine-2-carboxamide
CID 79421839
4-[(3,6-dichloropyridine-2-carbonyl)amino]benzoic acid
CID 45426688
3,6-dichloro-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 26408797
3,6-dichloro-N-(9H-fluoren-2-yl)pyridine-2-carboxamide
CID 26783735
3,6-dichloro-N-(4-sulfamoylphenyl)pyridine-2-carboxamide
CID 26718791
3-chloro-N-(3,4-dichlorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62235808

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide (CID 60912008) is 3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide is CN(C)c1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1Cl.
What is the InChIKey of 3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is GOMBSMKTAALETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N3O/c1-20(2)11-5-3-8(7-10(11)16)18-14(21)13-9(15)4-6-12(17)19-13/h3-7H,1-2H3,(H,18,21).
What are the key properties of 3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide?
3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide has a molecular weight of 344.63 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 60912008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).