4-N-tert-butyl-2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide

C19H22ClN3O3 — CID 109089227

IUPAC4-N-tert-butyl-2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(C(=O)NC(C)(C)C)ccn1
InChIInChI=1S/C19H22ClN3O3/c1-11-8-14(16(26-5)10-13(11)20)22-18(25)15-9-12(6-7-21-15)17(24)23-19(2,3)4/h6-10H,1-5H3,(H,22,25)(H,23,24)
InChIKeyVAIBKGMWKVXIAS-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.83
Rot. Bonds4

About 4-N-tert-butyl-2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide

4-N-tert-butyl-2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109089227) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 4-N-tert-butyl-2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109089227
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name4-N-tert-butyl-2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(C(=O)NC(C)(C)C)ccn1
InChIInChI=1S/C19H22ClN3O3/c1-11-8-14(16(26-5)10-13(11)20)22-18(25)15-9-12(6-7-21-15)17(24)23-19(2,3)4/h6-10H,1-5H3,(H,22,25)(H,23,24)
InChIKeyVAIBKGMWKVXIAS-UHFFFAOYSA-N
XLogP3.83
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-tert-butyl-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089176
N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
CID 62238327
4-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109089181
4-N-tert-butyl-2-N-(3-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089161
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
N-tert-butyl-5-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109239364
4-N-butan-2-yl-2-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109080113
4-N-tert-butyl-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109089156
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide
CID 109177274
N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 43532961
2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 109175621
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171981

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide (CID 109089227) is 4-N-tert-butyl-2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1cc(C(=O)NC(C)(C)C)ccn1.
What is the InChIKey of 4-N-tert-butyl-2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is VAIBKGMWKVXIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-11-8-14(16(26-5)10-13(11)20)22-18(25)15-9-12(6-7-21-15)17(24)23-19(2,3)4/h6-10H,1-5H3,(H,22,25)(H,23,24).
What are the key properties of 4-N-tert-butyl-2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide?
4-N-tert-butyl-2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 375.86 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).