3,6-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide

C11H14Cl2N2O2 — CID 79249197

IUPAC3,6-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide
SMILESCC(C)C(CO)NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-6(2)8(5-16)14-11(17)10-7(12)3-4-9(13)15-10/h3-4,6,8,16H,5H2,1-2H3,(H,14,17)
InChIKeyBGULYWDOQRZLOY-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.14
Rot. Bonds4

About 3,6-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide

3,6-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide (PubChem CID 79249197) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 3,6-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide
PubChem CID79249197
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name3,6-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide
SMILESCC(C)C(CO)NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-6(2)8(5-16)14-11(17)10-7(12)3-4-9(13)15-10/h3-4,6,8,16H,5H2,1-2H3,(H,14,17)
InChIKeyBGULYWDOQRZLOY-UHFFFAOYSA-N
XLogP2.14
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.14
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

(2S)-2-[(3,6-dichloropyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 103622853
5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 79250102
5-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 79249652
3,6-dichloropyridine-2-carbohydrazide
CID 45278328
3,6-dichloro-N-hexan-2-ylpyridine-2-carboxamide
CID 62200974
3,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide
CID 54968177
4-[(3,6-dichloropyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 114037038
3-chloro-6-(ethylamino)-N-(2-methylpentan-3-yl)pyridine-2-carboxamide
CID 55047136
3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60692450
3,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 47097948
3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 80642584
2-[(3,6-dichloropyridine-2-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 103602658

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide (CID 79249197) is 3,6-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide is CC(C)C(CO)NC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide?
The InChIKey is BGULYWDOQRZLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-6(2)8(5-16)14-11(17)10-7(12)3-4-9(13)15-10/h3-4,6,8,16H,5H2,1-2H3,(H,14,17).
What are the key properties of 3,6-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide?
3,6-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide has a molecular weight of 277.15 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 79249197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).