2-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide

C19H25N3O4 — CID 109175043

IUPAC2-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccnc(NC(C)(C)C)c2)cc(OC)c1OC
InChIInChI=1S/C19H25N3O4/c1-19(2,3)22-16-9-12(7-8-20-16)18(23)21-13-10-14(24-4)17(26-6)15(11-13)25-5/h7-11H,1-6H3,(H,20,22)(H,21,23)
InChIKeyUFRPHUXUEPKFFQ-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.57
Rot. Bonds6

About 2-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide

2-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide (PubChem CID 109175043) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
PubChem CID109175043
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccnc(NC(C)(C)C)c2)cc(OC)c1OC
InChIInChI=1S/C19H25N3O4/c1-19(2,3)22-16-9-12(7-8-20-16)18(23)21-13-10-14(24-4)17(26-6)15(11-13)25-5/h7-11H,1-6H3,(H,20,22)(H,21,23)
InChIKeyUFRPHUXUEPKFFQ-UHFFFAOYSA-N
XLogP3.57
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 109169400
N-(3-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide
CID 109176250
N-(4-bromo-3-methoxyphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 82859455
2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 109166542
N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 127109293
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 82860502
2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109165609
N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109177506
N-(pyridin-4-ylmethyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide
CID 109172063
N-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxamide
CID 7741667

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide (CID 109175043) is 2-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide is COc1cc(NC(=O)c2ccnc(NC(C)(C)C)c2)cc(OC)c1OC.
What is the InChIKey of 2-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide?
The InChIKey is UFRPHUXUEPKFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-19(2,3)22-16-9-12(7-8-20-16)18(23)21-13-10-14(24-4)17(26-6)15(11-13)25-5/h7-11H,1-6H3,(H,20,22)(H,21,23).
What are the key properties of 2-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide?
2-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109175043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).