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

C18H21N3O3 — CID 109106949

IUPAC5-N-tert-butyl-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
SMILESCOc1ccccc1NC(=O)c1cncc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C18H21N3O3/c1-18(2,3)21-17(23)13-9-12(10-19-11-13)16(22)20-14-7-5-6-8-15(14)24-4/h5-11H,1-4H3,(H,20,22)(H,21,23)
InChIKeyKZQQNACUFOPAOG-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.87
Rot. Bonds4

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

5-N-tert-butyl-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109106949) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-N-tert-butyl-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-tert-butyl-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
PubChem CID109106949
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name5-N-tert-butyl-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
SMILESCOc1ccccc1NC(=O)c1cncc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C18H21N3O3/c1-18(2,3)21-17(23)13-9-12(10-19-11-13)16(22)20-14-7-5-6-8-15(14)24-4/h5-11H,1-4H3,(H,20,22)(H,21,23)
InChIKeyKZQQNACUFOPAOG-UHFFFAOYSA-N
XLogP2.87
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(2-methoxyphenyl)-3-N-phenylpyridine-3,5-dicarboxamide
CID 109107789
5-N-tert-butyl-3-N-(5-chloro-2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109106946
5-N-tert-butyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109106923
3-N-(3,4-dimethylphenyl)-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108315
5-N-(2-methoxyphenyl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108873
5-N-(2,6-difluorophenyl)-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108890
3-N-benzyl-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109105048
5-N-(2-methoxyphenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105762
3-N-(2-methoxyphenyl)-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109108084
5-N-tert-butyl-3-N-phenylpyridine-3,5-dicarboxamide
CID 109106910
3-N-(2-methoxyphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide
CID 109108883
N-(2-methoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228300

Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-tert-butyl-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide (CID 109106949) is 5-N-tert-butyl-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-tert-butyl-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-tert-butyl-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide is COc1ccccc1NC(=O)c1cncc(C(=O)NC(C)(C)C)c1.
What is the InChIKey of 5-N-tert-butyl-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is KZQQNACUFOPAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-18(2,3)21-17(23)13-9-12(10-19-11-13)16(22)20-14-7-5-6-8-15(14)24-4/h5-11H,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 5-N-tert-butyl-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide?
5-N-tert-butyl-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.87, 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-(2-methoxyphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).