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

C11H14Cl2N2O — CID 43243474

IUPAC5,6-dichloro-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCC(C)CN(C)C(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O/c1-7(2)6-15(3)11(16)8-4-9(12)10(13)14-5-8/h4-5,7H,6H2,1-3H3
InChIKeyJDMRHARBBARORP-UHFFFAOYSA-N
MW261.15 g/mol
LogP3.12
Rot. Bonds3

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

5,6-dichloro-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 43243474) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 5,6-dichloro-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID43243474
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name5,6-dichloro-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCC(C)CN(C)C(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O/c1-7(2)6-15(3)11(16)8-4-9(12)10(13)14-5-8/h4-5,7H,6H2,1-3H3
InChIKeyJDMRHARBBARORP-UHFFFAOYSA-N
XLogP3.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 53.12
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

5,6-dichloro-N-cyclopentyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 112725804
5,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-3-carboxamide
CID 63695366
4-[(5,6-dichloropyridine-3-carbonyl)-methylamino]butanoic acid
CID 43240294
N-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide
CID 43274566
5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 43564503
methyl 3-[(5,6-dichloropyridine-3-carbonyl)-methylamino]propanoate
CID 55030990
5,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 43396646
5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60628265
1-(5,6-dichloro-3-pyridinyl)-2-methylpropan-1-one
CID 87574101
5,6-dichloro-N-(cyanomethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 103758627
5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631233
2-amino-5-chloro-N-methyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114922159

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide (CID 43243474) is 5,6-dichloro-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide is CC(C)CN(C)C(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is JDMRHARBBARORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-7(2)6-15(3)11(16)8-4-9(12)10(13)14-5-8/h4-5,7H,6H2,1-3H3.
What are the key properties of 5,6-dichloro-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide?
5,6-dichloro-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 261.15 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 43243474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).