5-amino-2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-4-carboxamide

C11H16ClN3O2 — CID 114089535

IUPAC5-amino-2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-4-carboxamide
SMILESCC(CCO)CNC(=O)c1cc(Cl)ncc1N
InChIInChI=1S/C11H16ClN3O2/c1-7(2-3-16)5-15-11(17)8-4-10(12)14-6-9(8)13/h4,6-7,16H,2-3,5,13H2,1H3,(H,15,17)
InChIKeyLEIFELVMQBZXLH-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.07
Rot. Bonds5

About 5-amino-2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-4-carboxamide

5-amino-2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-4-carboxamide (PubChem CID 114089535) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-4-carboxamide
PubChem CID114089535
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-amino-2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-4-carboxamide
SMILESCC(CCO)CNC(=O)c1cc(Cl)ncc1N
InChIInChI=1S/C11H16ClN3O2/c1-7(2-3-16)5-15-11(17)8-4-10(12)14-6-9(8)13/h4,6-7,16H,2-3,5,13H2,1H3,(H,15,17)
InChIKeyLEIFELVMQBZXLH-UHFFFAOYSA-N
XLogP1.07
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 114089506
5-amino-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-4-carboxamide
CID 114089562
2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66091263
5-amino-2,4-difluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66092192
5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
CID 114089452
2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 106502483
2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide
CID 79723461
2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide
CID 66089719
5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide
CID 114089470
1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one
CID 118065331
2-chloro-N-(4-hydroxy-2-methylbutyl)-5-sulfanylbenzamide
CID 107031763
3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
CID 66091959

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-4-carboxamide (CID 114089535) is 5-amino-2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-4-carboxamide is CC(CCO)CNC(=O)c1cc(Cl)ncc1N.
What is the InChIKey of 5-amino-2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-4-carboxamide?
The InChIKey is LEIFELVMQBZXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-7(2-3-16)5-15-11(17)8-4-10(12)14-6-9(8)13/h4,6-7,16H,2-3,5,13H2,1H3,(H,15,17).
What are the key properties of 5-amino-2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-4-carboxamide?
5-amino-2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-4-carboxamide has a molecular weight of 257.72 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-4-carboxamide is sourced from PubChem (CID 114089535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).