5-(tert-butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide

C18H22ClN3O2 — CID 109239484

IUPAC5-(tert-butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cncc(NC(C)(C)C)c1
InChIInChI=1S/C18H22ClN3O2/c1-11-6-15(16(24-5)8-14(11)19)21-17(23)12-7-13(10-20-9-12)22-18(2,3)4/h6-10,22H,1-5H3,(H,21,23)
InChIKeyQHHLFIXHQFNAAZ-UHFFFAOYSA-N
MW347.85 g/mol
LogP4.51
Rot. Bonds4

About 5-(tert-butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide

5-(tert-butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide (PubChem CID 109239484) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 5-(tert-butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(tert-butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
PubChem CID109239484
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name5-(tert-butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cncc(NC(C)(C)C)c1
InChIInChI=1S/C18H22ClN3O2/c1-11-6-15(16(24-5)8-14(11)19)21-17(23)12-7-13(10-20-9-12)22-18(2,3)4/h6-10,22H,1-5H3,(H,21,23)
InChIKeyQHHLFIXHQFNAAZ-UHFFFAOYSA-N
XLogP4.51
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(tert-butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-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

N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63864045
N-tert-butyl-5-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109239364
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244354
3-N-(4-chloro-2-methoxy-5-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106836
N-(4-chloro-2-methoxy-5-methylphenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109227625
N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 43532961
6-amino-5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 62153748
5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109239396
5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109239395
5-(tert-butylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109239400
5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 109231933
N-(4-bromo-2-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239464

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(tert-butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide (CID 109239484) is 5-(tert-butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(tert-butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(tert-butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1cncc(NC(C)(C)C)c1.
What is the InChIKey of 5-(tert-butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide?
The InChIKey is QHHLFIXHQFNAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-11-6-15(16(24-5)8-14(11)19)21-17(23)12-7-13(10-20-9-12)22-18(2,3)4/h6-10,22H,1-5H3,(H,21,23).
What are the key properties of 5-(tert-butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide?
5-(tert-butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109239484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).