2-tert-butyl-6-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide

C15H23ClN2O3 — CID 106242999

IUPAC2-tert-butyl-6-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
SMILESCOCC(O)CCNC(=O)c1cc(Cl)nc(C(C)(C)C)c1
InChIInChI=1S/C15H23ClN2O3/c1-15(2,3)12-7-10(8-13(16)18-12)14(20)17-6-5-11(19)9-21-4/h7-8,11,19H,5-6,9H2,1-4H3,(H,17,20)
InChIKeyRKRSOODSNVQMND-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.16
Rot. Bonds6

About 2-tert-butyl-6-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide

2-tert-butyl-6-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide (PubChem CID 106242999) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
PubChem CID106242999
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-tert-butyl-6-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
SMILESCOCC(O)CCNC(=O)c1cc(Cl)nc(C(C)(C)C)c1
InChIInChI=1S/C15H23ClN2O3/c1-15(2,3)12-7-10(8-13(16)18-12)14(20)17-6-5-11(19)9-21-4/h7-8,11,19H,5-6,9H2,1-4H3,(H,17,20)
InChIKeyRKRSOODSNVQMND-UHFFFAOYSA-N
XLogP2.16
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
CID 103877191
2-tert-butyl-6-chloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841535
6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide
CID 106551616
2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide
CID 113497559
4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 114162951
3-(chloromethyl)-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106246225
4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 113343606
2-tert-butyl-6-chloro-N-(oxetan-3-yl)pyridine-4-carboxamide
CID 113379994
(2S)-2-[(2-tert-butyl-6-chloropyridine-4-carbonyl)amino]propanoic acid
CID 114036543
N-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide
CID 103877604
N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide
CID 103877617
N-(3-hydroxy-4-methoxybutyl)-1H-indazole-5-carboxamide
CID 103876908

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide?
The IUPAC name of 2-tert-butyl-6-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide (CID 106242999) is 2-tert-butyl-6-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide is COCC(O)CCNC(=O)c1cc(Cl)nc(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide?
The InChIKey is RKRSOODSNVQMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-15(2,3)12-7-10(8-13(16)18-12)14(20)17-6-5-11(19)9-21-4/h7-8,11,19H,5-6,9H2,1-4H3,(H,17,20).
What are the key properties of 2-tert-butyl-6-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide?
2-tert-butyl-6-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide has a molecular weight of 314.81 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide is sourced from PubChem (CID 106242999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).