2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide

C14H20Cl2N2O — CID 106994483

IUPAC2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
SMILESCC(C)C(CNC(=O)c1ccc(Cl)nc1Cl)C(C)C
InChIInChI=1S/C14H20Cl2N2O/c1-8(2)11(9(3)4)7-17-14(19)10-5-6-12(15)18-13(10)16/h5-6,8-9,11H,7H2,1-4H3,(H,17,19)
InChIKeyNOGXVLXSYLTDBG-UHFFFAOYSA-N
MW303.23 g/mol
LogP4.05
Rot. Bonds5

About 2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide

2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide (PubChem CID 106994483) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
PubChem CID106994483
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
SMILESCC(C)C(CNC(=O)c1ccc(Cl)nc1Cl)C(C)C
InChIInChI=1S/C14H20Cl2N2O/c1-8(2)11(9(3)4)7-17-14(19)10-5-6-12(15)18-13(10)16/h5-6,8-9,11H,7H2,1-4H3,(H,17,19)
InChIKeyNOGXVLXSYLTDBG-UHFFFAOYSA-N
XLogP4.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 54.05
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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Related Compounds

2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
CID 106993526
2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide
CID 106993396
2,6-dichloro-N-(2-ethyl-4-hydroxybutyl)pyridine-3-carboxamide
CID 106994116
2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 103687935
N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide
CID 106993229
2,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102914586
3-[(2,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114037140
4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915104
2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 113227307
2,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
CID 113228634
4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914681
2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 106993375

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide (CID 106994483) is 2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide is CC(C)C(CNC(=O)c1ccc(Cl)nc1Cl)C(C)C.
What is the InChIKey of 2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide?
The InChIKey is NOGXVLXSYLTDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-8(2)11(9(3)4)7-17-14(19)10-5-6-12(15)18-13(10)16/h5-6,8-9,11H,7H2,1-4H3,(H,17,19).
What are the key properties of 2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide?
2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide has a molecular weight of 303.23 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 106994483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).