2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide

C13H18Cl2N2O — CID 103687935

IUPAC2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide
SMILESCC(C)CCCCNC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-9(2)5-3-4-8-16-13(18)10-6-7-11(14)17-12(10)15/h6-7,9H,3-5,8H2,1-2H3,(H,16,18)
InChIKeyMCRTXDBYFHZTAH-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.94
Rot. Bonds6

About 2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide

2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide (PubChem CID 103687935) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide
PubChem CID103687935
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide
SMILESCC(C)CCCCNC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-9(2)5-3-4-8-16-13(18)10-6-7-11(14)17-12(10)15/h6-7,9H,3-5,8H2,1-2H3,(H,16,18)
InChIKeyMCRTXDBYFHZTAH-UHFFFAOYSA-N
XLogP3.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 107851393
N-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide
CID 106993576
2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 113227307
N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide
CID 106993229
2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 106994483
2-[(2,6-dichloropyridine-3-carbonyl)amino]ethyl N-methylcarbamate
CID 155072068
6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 79003057
2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide
CID 106993396
6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide
CID 62235303
3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 66481997
2,6-dichloro-N-(3-ethenoxypropyl)pyridine-3-carboxamide
CID 106993547
2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 106993258

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide (CID 103687935) is 2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide is CC(C)CCCCNC(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide?
The InChIKey is MCRTXDBYFHZTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-9(2)5-3-4-8-16-13(18)10-6-7-11(14)17-12(10)15/h6-7,9H,3-5,8H2,1-2H3,(H,16,18).
What are the key properties of 2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide?
2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide has a molecular weight of 289.21 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide is sourced from PubChem (CID 103687935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).