2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide

C13H19Cl2N3O — CID 106993526

IUPAC2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
SMILESCC(C)C(CNC(=O)c1ccc(Cl)nc1Cl)N(C)C
InChIInChI=1S/C13H19Cl2N3O/c1-8(2)10(18(3)4)7-16-13(19)9-5-6-11(14)17-12(9)15/h5-6,8,10H,7H2,1-4H3,(H,16,19)
InChIKeyHGACJLDXIFYDPM-UHFFFAOYSA-N
MW304.22 g/mol
LogP2.70
Rot. Bonds5

About 2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide

2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide (PubChem CID 106993526) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
PubChem CID106993526
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
SMILESCC(C)C(CNC(=O)c1ccc(Cl)nc1Cl)N(C)C
InChIInChI=1S/C13H19Cl2N3O/c1-8(2)10(18(3)4)7-16-13(19)9-5-6-11(14)17-12(9)15/h5-6,8,10H,7H2,1-4H3,(H,16,19)
InChIKeyHGACJLDXIFYDPM-UHFFFAOYSA-N
XLogP2.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide
CID 106993396
2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 106994483
2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 113227307
2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide
CID 114127211
2,6-dichloro-N-(2-ethyl-4-hydroxybutyl)pyridine-3-carboxamide
CID 106994116
2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 103687935
N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide
CID 106993229
3-[(2,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114037140
2-chloro-N-[2-(dimethylamino)-3-methylbutyl]-5-(3,5-dimethylpyrazol-1-yl)benzamide
CID 46975737
2-bromo-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-methoxybenzamide
CID 95160183
2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 106993258
2-[(2,6-dichloropyridine-3-carbonyl)amino]ethyl N-methylcarbamate
CID 155072068

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide (CID 106993526) is 2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide is CC(C)C(CNC(=O)c1ccc(Cl)nc1Cl)N(C)C.
What is the InChIKey of 2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide?
The InChIKey is HGACJLDXIFYDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O/c1-8(2)10(18(3)4)7-16-13(19)9-5-6-11(14)17-12(9)15/h5-6,8,10H,7H2,1-4H3,(H,16,19).
What are the key properties of 2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide?
2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide has a molecular weight of 304.22 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide is sourced from PubChem (CID 106993526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).