2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide

C14H21ClN2O2 — CID 113475573

IUPAC2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)C(C)(C)CO)cc(Cl)n1
InChIInChI=1S/C14H21ClN2O2/c1-9(2)11-6-10(7-12(15)16-11)13(19)17(5)14(3,4)8-18/h6-7,9,18H,8H2,1-5H3
InChIKeyKPYPCHMFOJQXQU-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.70
Rot. Bonds4

About 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide

2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide (PubChem CID 113475573) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide
PubChem CID113475573
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)C(C)(C)CO)cc(Cl)n1
InChIInChI=1S/C14H21ClN2O2/c1-9(2)11-6-10(7-12(15)16-11)13(19)17(5)14(3,4)8-18/h6-7,9,18H,8H2,1-5H3
InChIKeyKPYPCHMFOJQXQU-UHFFFAOYSA-N
XLogP2.70
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-ethyl-N-(2-hydroxyethyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379790
2-chloro-N-(2-methoxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide
CID 113379837
2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 103461104
2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379713
2,6-dichloro-N-(1-hydroxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 115869509
3-bromo-5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide
CID 107939685
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide
CID 106033397
2-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 106249808
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,6-dimethylpyrimidine-4-carboxamide
CID 114220437
2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide
CID 113379798
2-chloro-N-(2-methoxyethyl)-6-propan-2-yl-N-prop-2-enylpyridine-4-carboxamide
CID 103338650
2-chloro-N-(2-cyanopropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379908

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide (CID 113475573) is 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide is CC(C)c1cc(C(=O)N(C)C(C)(C)CO)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide?
The InChIKey is KPYPCHMFOJQXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-9(2)11-6-10(7-12(15)16-11)13(19)17(5)14(3,4)8-18/h6-7,9,18H,8H2,1-5H3.
What are the key properties of 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide?
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide has a molecular weight of 284.79 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 113475573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).