2,6-dichloro-N,N-di(propan-2-yl)pyridine-4-carboxamide

C12H16Cl2N2O — CID 102475789

IUPAC2,6-dichloro-N,N-di(propan-2-yl)pyridine-4-carboxamide
SMILESCC(C)N(C(=O)c1cc(Cl)nc(Cl)c1)C(C)C
InChIInChI=1S/C12H16Cl2N2O/c1-7(2)16(8(3)4)12(17)9-5-10(13)15-11(14)6-9/h5-8H,1-4H3
InChIKeyFSIRFQVHLKXCGB-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.65
Rot. Bonds3

About 2,6-dichloro-N,N-di(propan-2-yl)pyridine-4-carboxamide

2,6-dichloro-N,N-di(propan-2-yl)pyridine-4-carboxamide (PubChem CID 102475789) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 2,6-dichloro-N,N-di(propan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N,N-di(propan-2-yl)pyridine-4-carboxamide
PubChem CID102475789
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name2,6-dichloro-N,N-di(propan-2-yl)pyridine-4-carboxamide
SMILESCC(C)N(C(=O)c1cc(Cl)nc(Cl)c1)C(C)C
InChIInChI=1S/C12H16Cl2N2O/c1-7(2)16(8(3)4)12(17)9-5-10(13)15-11(14)6-9/h5-8H,1-4H3
InChIKeyFSIRFQVHLKXCGB-UHFFFAOYSA-N
XLogP3.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.65
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 2,6-dichloro-N,N-di(propan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N,N-di(propan-2-yl)pyridine-4-carboxamide (CID 102475789) is 2,6-dichloro-N,N-di(propan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N,N-di(propan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N,N-di(propan-2-yl)pyridine-4-carboxamide is CC(C)N(C(=O)c1cc(Cl)nc(Cl)c1)C(C)C.
What is the InChIKey of 2,6-dichloro-N,N-di(propan-2-yl)pyridine-4-carboxamide?
The InChIKey is FSIRFQVHLKXCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-7(2)16(8(3)4)12(17)9-5-10(13)15-11(14)6-9/h5-8H,1-4H3.
What are the key properties of 2,6-dichloro-N,N-di(propan-2-yl)pyridine-4-carboxamide?
2,6-dichloro-N,N-di(propan-2-yl)pyridine-4-carboxamide has a molecular weight of 275.18 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N,N-di(propan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 102475789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).