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

C14H21ClN2O3 — CID 106153622

IUPAC2-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-propan-2-ylpyridine-4-carboxamide
SMILESCOCC(CCO)NC(=O)c1cc(Cl)nc(C(C)C)c1
InChIInChI=1S/C14H21ClN2O3/c1-9(2)12-6-10(7-13(15)17-12)14(19)16-11(4-5-18)8-20-3/h6-7,9,11,18H,4-5,8H2,1-3H3,(H,16,19)
InChIKeyRHABOYCVRYAPFC-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.99
Rot. Bonds7

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

2-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-propan-2-ylpyridine-4-carboxamide (PubChem CID 106153622) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-propan-2-ylpyridine-4-carboxamide
PubChem CID106153622
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name2-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-propan-2-ylpyridine-4-carboxamide
SMILESCOCC(CCO)NC(=O)c1cc(Cl)nc(C(C)C)c1
InChIInChI=1S/C14H21ClN2O3/c1-9(2)12-6-10(7-13(15)17-12)14(19)16-11(4-5-18)8-20-3/h6-7,9,11,18H,4-5,8H2,1-3H3,(H,16,19)
InChIKeyRHABOYCVRYAPFC-UHFFFAOYSA-N
XLogP1.99
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-propan-2-ylpyridine-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

methyl (2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
CID 113379820
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 113434933
2-chloro-N-(1-hydroxypentan-3-yl)-6-(methylamino)pyridine-4-carboxamide
CID 109478884
2-chloro-N-(2-methylpentan-3-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379873
N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103799473
N-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide
CID 104629797
(2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]butanoic acid
CID 114037087
3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 103851083
3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-5-nitrobenzamide
CID 103850791
2-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 106249808
2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379713
methyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
CID 113379816

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-propan-2-ylpyridine-4-carboxamide (CID 106153622) is 2-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-propan-2-ylpyridine-4-carboxamide is COCC(CCO)NC(=O)c1cc(Cl)nc(C(C)C)c1.
What is the InChIKey of 2-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-propan-2-ylpyridine-4-carboxamide?
The InChIKey is RHABOYCVRYAPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-9(2)12-6-10(7-13(15)17-12)14(19)16-11(4-5-18)8-20-3/h6-7,9,11,18H,4-5,8H2,1-3H3,(H,16,19).
What are the key properties of 2-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-propan-2-ylpyridine-4-carboxamide?
2-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-propan-2-ylpyridine-4-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 106153622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).