4-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide

C19H23N3O4 — CID 109089181

IUPAC4-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cc(C(=O)NC(C)(C)C)ccn2)cc1OC
InChIInChI=1S/C19H23N3O4/c1-19(2,3)22-17(23)12-8-9-20-14(10-12)18(24)21-13-6-7-15(25-4)16(11-13)26-5/h6-11H,1-5H3,(H,21,24)(H,22,23)
InChIKeyBJWQKRFFXJQRJX-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.88
Rot. Bonds5

About 4-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide

4-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109089181) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
PubChem CID109089181
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name4-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cc(C(=O)NC(C)(C)C)ccn2)cc1OC
InChIInChI=1S/C19H23N3O4/c1-19(2,3)22-17(23)12-8-9-20-14(10-12)18(24)21-13-6-7-15(25-4)16(11-13)26-5/h6-11H,1-5H3,(H,21,24)(H,22,23)
InChIKeyBJWQKRFFXJQRJX-UHFFFAOYSA-N
XLogP2.88
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-tert-butyl-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089176
2-N-(3,4-dimethoxyphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082596
6-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109099186
4-amino-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 62152522
2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109081613
4-N-tert-butyl-2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089227
4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109089232
2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109089355
2-N-(3,4-dimethoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087380
4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109090928
6-(tert-butylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109124776
N-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109222033

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide (CID 109089181) is 4-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide is COc1ccc(NC(=O)c2cc(C(=O)NC(C)(C)C)ccn2)cc1OC.
What is the InChIKey of 4-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is BJWQKRFFXJQRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-19(2,3)22-17(23)12-8-9-20-14(10-12)18(24)21-13-6-7-15(25-4)16(11-13)26-5/h6-11H,1-5H3,(H,21,24)(H,22,23).
What are the key properties of 4-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide?
4-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).