3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide

C12H16Cl2N2O2 — CID 65107170

IUPAC3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-3-12(18,4-2)7-15-11(17)10-8(13)5-6-9(14)16-10/h5-6,18H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyMQIYPNXYHHGPEL-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.67
Rot. Bonds5

About 3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide

3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide (PubChem CID 65107170) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
PubChem CID65107170
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-3-12(18,4-2)7-15-11(17)10-8(13)5-6-9(14)16-10/h5-6,18H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyMQIYPNXYHHGPEL-UHFFFAOYSA-N
XLogP2.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide
CID 65107168
6-chloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
CID 65107379
3,6-dichloropyridine-2-carbohydrazide
CID 45278328
3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60692450
3,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 32898227
6-amino-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 62159814
3,6-dichloro-N-prop-2-enylpyridine-2-carboxamide
CID 26643522
4-[[(3,6-dichloropyridine-2-carbonyl)amino]methyl]benzoic acid
CID 103602653
3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 47215448
5-chloro-N-(2-hydroxy-2-propylpentyl)-2-methylpyrimidine-4-carboxamide
CID 111485074
6-amino-3-chloro-N-ethylpyridine-2-carboxamide
CID 62154853
3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide
CID 60693634

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide (CID 65107170) is 3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide is CCC(O)(CC)CNC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide?
The InChIKey is MQIYPNXYHHGPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-3-12(18,4-2)7-15-11(17)10-8(13)5-6-9(14)16-10/h5-6,18H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of 3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide?
3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide has a molecular weight of 291.18 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide is sourced from PubChem (CID 65107170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).