4,6-dichloro-N-methyl-N-propan-2-ylpyridine-3-carboxamide

C10H12Cl2N2O — CID 134210113

IUPAC4,6-dichloro-N-methyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(C)C(=O)c1cnc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-6(2)14(3)10(15)7-5-13-9(12)4-8(7)11/h4-6H,1-3H3
InChIKeyKTEFIXBDWGIJRN-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.87
Rot. Bonds2

About 4,6-dichloro-N-methyl-N-propan-2-ylpyridine-3-carboxamide

4,6-dichloro-N-methyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 134210113) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 4,6-dichloro-N-methyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-methyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID134210113
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name4,6-dichloro-N-methyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(C)C(=O)c1cnc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-6(2)14(3)10(15)7-5-13-9(12)4-8(7)11/h4-6H,1-3H3
InChIKeyKTEFIXBDWGIJRN-UHFFFAOYSA-N
XLogP2.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.87
H-Bond Donors ≤ 50
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 4,6-dichloro-N-methyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 4,6-dichloro-N-methyl-N-propan-2-ylpyridine-3-carboxamide (CID 134210113) is 4,6-dichloro-N-methyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 4,6-dichloro-N-methyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 4,6-dichloro-N-methyl-N-propan-2-ylpyridine-3-carboxamide is CC(C)N(C)C(=O)c1cnc(Cl)cc1Cl.
What is the InChIKey of 4,6-dichloro-N-methyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is KTEFIXBDWGIJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-6(2)14(3)10(15)7-5-13-9(12)4-8(7)11/h4-6H,1-3H3.
What are the key properties of 4,6-dichloro-N-methyl-N-propan-2-ylpyridine-3-carboxamide?
4,6-dichloro-N-methyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 247.12 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-methyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 134210113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).