2-tert-butyl-6-chloro-N-(4-hydroxybutyl)pyridine-4-carboxamide

C14H21ClN2O2 — CID 106841535

IUPAC2-tert-butyl-6-chloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NCCCCO)cc(Cl)n1
InChIInChI=1S/C14H21ClN2O2/c1-14(2,3)11-8-10(9-12(15)17-11)13(19)16-6-4-5-7-18/h8-9,18H,4-7H2,1-3H3,(H,16,19)
InChIKeyRYMONVDFDSHDKO-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.53
Rot. Bonds5

About 2-tert-butyl-6-chloro-N-(4-hydroxybutyl)pyridine-4-carboxamide

2-tert-butyl-6-chloro-N-(4-hydroxybutyl)pyridine-4-carboxamide (PubChem CID 106841535) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(4-hydroxybutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
PubChem CID106841535
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-tert-butyl-6-chloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NCCCCO)cc(Cl)n1
InChIInChI=1S/C14H21ClN2O2/c1-14(2,3)11-8-10(9-12(15)17-11)13(19)16-6-4-5-7-18/h8-9,18H,4-7H2,1-3H3,(H,16,19)
InChIKeyRYMONVDFDSHDKO-UHFFFAOYSA-N
XLogP2.53
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-6-chloro-N-(4-hydroxybutyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536
2-tert-butyl-6-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
CID 106242999
(2S)-2-[(2-tert-butyl-6-chloropyridine-4-carbonyl)amino]propanoic acid
CID 114036543
2-tert-butyl-6-chloro-N-(oxetan-3-yl)pyridine-4-carboxamide
CID 113379994
2-tert-butyl-6-chloro-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
CID 106895538
2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635819
2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide
CID 110024020
2-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-methylpyridine-4-carboxamide
CID 104954990
2-tert-butyl-6-chloro-N-[[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]pyridine-4-carboxamide
CID 166415965
3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107318553
methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
CID 103605118
2-tert-butyl-6-chloro-N-(2,2-dimethylcyclopropyl)pyridine-4-carboxamide
CID 113379890

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(4-hydroxybutyl)pyridine-4-carboxamide?
The IUPAC name of 2-tert-butyl-6-chloro-N-(4-hydroxybutyl)pyridine-4-carboxamide (CID 106841535) is 2-tert-butyl-6-chloro-N-(4-hydroxybutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(4-hydroxybutyl)pyridine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(4-hydroxybutyl)pyridine-4-carboxamide is CC(C)(C)c1cc(C(=O)NCCCCO)cc(Cl)n1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(4-hydroxybutyl)pyridine-4-carboxamide?
The InChIKey is RYMONVDFDSHDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-14(2,3)11-8-10(9-12(15)17-11)13(19)16-6-4-5-7-18/h8-9,18H,4-7H2,1-3H3,(H,16,19).
What are the key properties of 2-tert-butyl-6-chloro-N-(4-hydroxybutyl)pyridine-4-carboxamide?
2-tert-butyl-6-chloro-N-(4-hydroxybutyl)pyridine-4-carboxamide has a molecular weight of 284.79 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-(4-hydroxybutyl)pyridine-4-carboxamide is sourced from PubChem (CID 106841535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).