N-tert-butyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide

C12H16Cl2N2O — CID 1266535

IUPACN-tert-butyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide
SMILESCc1nc(Cl)c(C(=O)NC(C)(C)C)c(C)c1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-6-8(11(17)16-12(3,4)5)10(14)15-7(2)9(6)13/h1-5H3,(H,16,17)
InChIKeyZNKONZBLFATAMZ-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.53
Rot. Bonds1

About N-tert-butyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide

N-tert-butyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide (PubChem CID 1266535) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is N-tert-butyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide
PubChem CID1266535
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC NameN-tert-butyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide
SMILESCc1nc(Cl)c(C(=O)NC(C)(C)C)c(C)c1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-6-8(11(17)16-12(3,4)5)10(14)15-7(2)9(6)13/h1-5H3,(H,16,17)
InChIKeyZNKONZBLFATAMZ-UHFFFAOYSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-tert-butyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide (CID 1266535) is N-tert-butyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide is Cc1nc(Cl)c(C(=O)NC(C)(C)C)c(C)c1Cl.
What is the InChIKey of N-tert-butyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is ZNKONZBLFATAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-6-8(11(17)16-12(3,4)5)10(14)15-7(2)9(6)13/h1-5H3,(H,16,17).
What are the key properties of N-tert-butyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide?
N-tert-butyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 275.18 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,5-dichloro-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 1266535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).