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

C13H17Cl2N3O2 — CID 5105728

IUPAC2,6-dichloro-4-methyl-N-(3-methylbutylcarbamoyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)nc(Cl)c1C(=O)NC(=O)NCCC(C)C
InChIInChI=1S/C13H17Cl2N3O2/c1-7(2)4-5-16-13(20)18-12(19)10-8(3)6-9(14)17-11(10)15/h6-7H,4-5H2,1-3H3,(H2,16,18,19,20)
InChIKeyVPWWIBXMMVMECL-UHFFFAOYSA-N
MW318.20 g/mol
LogP3.18
Rot. Bonds4

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

2,6-dichloro-4-methyl-N-(3-methylbutylcarbamoyl)pyridine-3-carboxamide (PubChem CID 5105728) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is 2,6-dichloro-4-methyl-N-(3-methylbutylcarbamoyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-4-methyl-N-(3-methylbutylcarbamoyl)pyridine-3-carboxamide
PubChem CID5105728
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC Name2,6-dichloro-4-methyl-N-(3-methylbutylcarbamoyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)nc(Cl)c1C(=O)NC(=O)NCCC(C)C
InChIInChI=1S/C13H17Cl2N3O2/c1-7(2)4-5-16-13(20)18-12(19)10-8(3)6-9(14)17-11(10)15/h6-7H,4-5H2,1-3H3,(H2,16,18,19,20)
InChIKeyVPWWIBXMMVMECL-UHFFFAOYSA-N
XLogP3.18
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-methyl-N-(3-methylbutylcarbamoyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-4-methyl-N-(3-methylbutylcarbamoyl)pyridine-3-carboxamide (CID 5105728) is 2,6-dichloro-4-methyl-N-(3-methylbutylcarbamoyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-4-methyl-N-(3-methylbutylcarbamoyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-4-methyl-N-(3-methylbutylcarbamoyl)pyridine-3-carboxamide is Cc1cc(Cl)nc(Cl)c1C(=O)NC(=O)NCCC(C)C.
What is the InChIKey of 2,6-dichloro-4-methyl-N-(3-methylbutylcarbamoyl)pyridine-3-carboxamide?
The InChIKey is VPWWIBXMMVMECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c1-7(2)4-5-16-13(20)18-12(19)10-8(3)6-9(14)17-11(10)15/h6-7H,4-5H2,1-3H3,(H2,16,18,19,20).
What are the key properties of 2,6-dichloro-4-methyl-N-(3-methylbutylcarbamoyl)pyridine-3-carboxamide?
2,6-dichloro-4-methyl-N-(3-methylbutylcarbamoyl)pyridine-3-carboxamide has a molecular weight of 318.20 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-methyl-N-(3-methylbutylcarbamoyl)pyridine-3-carboxamide is sourced from PubChem (CID 5105728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).