2,6-dichloro-N-(4-methylhexan-2-yl)pyridine-3-carboxamide

C13H18Cl2N2O — CID 113246368

IUPAC2,6-dichloro-N-(4-methylhexan-2-yl)pyridine-3-carboxamide
SMILESCCC(C)CC(C)NC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-4-8(2)7-9(3)16-13(18)10-5-6-11(14)17-12(10)15/h5-6,8-9H,4,7H2,1-3H3,(H,16,18)
InChIKeyOXXISJXJJWIKBT-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.94
Rot. Bonds5

About 2,6-dichloro-N-(4-methylhexan-2-yl)pyridine-3-carboxamide

2,6-dichloro-N-(4-methylhexan-2-yl)pyridine-3-carboxamide (PubChem CID 113246368) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2,6-dichloro-N-(4-methylhexan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(4-methylhexan-2-yl)pyridine-3-carboxamide
PubChem CID113246368
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2,6-dichloro-N-(4-methylhexan-2-yl)pyridine-3-carboxamide
SMILESCCC(C)CC(C)NC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-4-8(2)7-9(3)16-13(18)10-5-6-11(14)17-12(10)15/h5-6,8-9H,4,7H2,1-3H3,(H,16,18)
InChIKeyOXXISJXJJWIKBT-UHFFFAOYSA-N
XLogP3.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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'}

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Related Compounds

3-[(2,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114037140
2,6-dichloro-N-(2-ethyl-4-hydroxybutyl)pyridine-3-carboxamide
CID 106994116
N-(4-methylhexan-2-yl)-2-sulfanylbenzamide
CID 107031346
2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide
CID 106993396
2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 106994483
4-fluoro-2-iodo-N-(4-methylhexan-2-yl)benzamide
CID 103708356
2-amino-4-bromo-N-(4-methylhexan-2-yl)benzamide
CID 79721645
4-(ethylamino)-N-(4-methylhexan-2-yl)pyridine-3-carboxamide
CID 81245539
2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 106993258
2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 103687935
2,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
CID 113228634
N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide
CID 106993229

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(4-methylhexan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-(4-methylhexan-2-yl)pyridine-3-carboxamide (CID 113246368) is 2,6-dichloro-N-(4-methylhexan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(4-methylhexan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(4-methylhexan-2-yl)pyridine-3-carboxamide is CCC(C)CC(C)NC(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-(4-methylhexan-2-yl)pyridine-3-carboxamide?
The InChIKey is OXXISJXJJWIKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-4-8(2)7-9(3)16-13(18)10-5-6-11(14)17-12(10)15/h5-6,8-9H,4,7H2,1-3H3,(H,16,18).
What are the key properties of 2,6-dichloro-N-(4-methylhexan-2-yl)pyridine-3-carboxamide?
2,6-dichloro-N-(4-methylhexan-2-yl)pyridine-3-carboxamide has a molecular weight of 289.21 g/mol, XLogP of 3.94, 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-(4-methylhexan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 113246368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).