5-N-tert-butyl-3-N-(5-chloro-2-methoxyphenyl)pyridine-3,5-dicarboxamide

C18H20ClN3O3 — CID 109106946

IUPAC5-N-tert-butyl-3-N-(5-chloro-2-methoxyphenyl)pyridine-3,5-dicarboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cncc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C18H20ClN3O3/c1-18(2,3)22-17(24)12-7-11(9-20-10-12)16(23)21-14-8-13(19)5-6-15(14)25-4/h5-10H,1-4H3,(H,21,23)(H,22,24)
InChIKeyWZROMPPEZSZLCN-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.52
Rot. Bonds4

About 5-N-tert-butyl-3-N-(5-chloro-2-methoxyphenyl)pyridine-3,5-dicarboxamide

5-N-tert-butyl-3-N-(5-chloro-2-methoxyphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109106946) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 5-N-tert-butyl-3-N-(5-chloro-2-methoxyphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-tert-butyl-3-N-(5-chloro-2-methoxyphenyl)pyridine-3,5-dicarboxamide
PubChem CID109106946
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name5-N-tert-butyl-3-N-(5-chloro-2-methoxyphenyl)pyridine-3,5-dicarboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cncc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C18H20ClN3O3/c1-18(2,3)22-17(24)12-7-11(9-20-10-12)16(23)21-14-8-13(19)5-6-15(14)25-4/h5-10H,1-4H3,(H,21,23)(H,22,24)
InChIKeyWZROMPPEZSZLCN-UHFFFAOYSA-N
XLogP3.52
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-tert-butyl-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109106949
5-N-(5-chloro-2-methoxyphenyl)-3-N-(4-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109108726
5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109244615
5,6-dichloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 4856255
N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240172
N-(5-chloro-2-methoxyphenyl)-5-(cyclopentylamino)pyridine-3-carboxamide
CID 109226185
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
N-(5-chloro-2-methylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide
CID 109244720
5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245063
5-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109234876
N-(5-chloro-2-methoxyphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62171907
5-[(4-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 109234136

Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-3-N-(5-chloro-2-methoxyphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-tert-butyl-3-N-(5-chloro-2-methoxyphenyl)pyridine-3,5-dicarboxamide (CID 109106946) is 5-N-tert-butyl-3-N-(5-chloro-2-methoxyphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-tert-butyl-3-N-(5-chloro-2-methoxyphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-tert-butyl-3-N-(5-chloro-2-methoxyphenyl)pyridine-3,5-dicarboxamide is COc1ccc(Cl)cc1NC(=O)c1cncc(C(=O)NC(C)(C)C)c1.
What is the InChIKey of 5-N-tert-butyl-3-N-(5-chloro-2-methoxyphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is WZROMPPEZSZLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-18(2,3)22-17(24)12-7-11(9-20-10-12)16(23)21-14-8-13(19)5-6-15(14)25-4/h5-10H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 5-N-tert-butyl-3-N-(5-chloro-2-methoxyphenyl)pyridine-3,5-dicarboxamide?
5-N-tert-butyl-3-N-(5-chloro-2-methoxyphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 361.83 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-3-N-(5-chloro-2-methoxyphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).