2,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-carboxamide

C14H20Cl2N2O — CID 113228634

IUPAC2,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-9(2)7-18(8-10(3)4)14(19)11-5-6-12(15)17-13(11)16/h5-6,9-10H,7-8H2,1-4H3
InChIKeyKCRWGLURMOLIGY-UHFFFAOYSA-N
MW303.23 g/mol
LogP4.14
Rot. Bonds5

About 2,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-carboxamide

2,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 113228634) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 2,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
PubChem CID113228634
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name2,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-9(2)7-18(8-10(3)4)14(19)11-5-6-12(15)17-13(11)16/h5-6,9-10H,7-8H2,1-4H3
InChIKeyKCRWGLURMOLIGY-UHFFFAOYSA-N
XLogP4.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 54.14
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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Related Compounds

3,6-dichloro-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 60748160
2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 113228627
2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 113228638
2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 106994483
2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 103687935
2,6-dichloro-N-phenyl-N-propan-2-ylpyridine-3-carboxamide
CID 91421539
4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide
CID 43587105
2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide
CID 106993396
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 106994076
2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
CID 106993526
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 113227307

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-carboxamide (CID 113228634) is 2,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-carboxamide is CC(C)CN(CC(C)C)C(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is KCRWGLURMOLIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-9(2)7-18(8-10(3)4)14(19)11-5-6-12(15)17-13(11)16/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 2,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-carboxamide?
2,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 303.23 g/mol, XLogP of 4.14, 5 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-bis(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 113228634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).