5-[(4-methoxyphenyl)methylamino]-N-(3-methylbutyl)pyridine-2-carboxamide

C19H25N3O2 — CID 109190476

IUPAC5-[(4-methoxyphenyl)methylamino]-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)NCCC(C)C)nc2)cc1
InChIInChI=1S/C19H25N3O2/c1-14(2)10-11-20-19(23)18-9-6-16(13-22-18)21-12-15-4-7-17(24-3)8-5-15/h4-9,13-14,21H,10-12H2,1-3H3,(H,20,23)
InChIKeyWYRJIAWROSUBMM-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.48
Rot. Bonds8

About 5-[(4-methoxyphenyl)methylamino]-N-(3-methylbutyl)pyridine-2-carboxamide

5-[(4-methoxyphenyl)methylamino]-N-(3-methylbutyl)pyridine-2-carboxamide (PubChem CID 109190476) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methylamino]-N-(3-methylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methylamino]-N-(3-methylbutyl)pyridine-2-carboxamide
PubChem CID109190476
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name5-[(4-methoxyphenyl)methylamino]-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)NCCC(C)C)nc2)cc1
InChIInChI=1S/C19H25N3O2/c1-14(2)10-11-20-19(23)18-9-6-16(13-22-18)21-12-15-4-7-17(24-3)8-5-15/h4-9,13-14,21H,10-12H2,1-3H3,(H,20,23)
InChIKeyWYRJIAWROSUBMM-UHFFFAOYSA-N
XLogP3.48
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methoxyphenyl)methylamino]-N-propylpyridine-2-carboxamide
CID 109179073
N-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190354
5-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109190458
N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109190359
N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190534
N-cyclopropyl-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109179866
6-N-[(4-methoxyphenyl)methyl]-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109098012
5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195545
N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109183892
N-(4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191679
N-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190538
N-(3-methylbutyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188286

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methylamino]-N-(3-methylbutyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(4-methoxyphenyl)methylamino]-N-(3-methylbutyl)pyridine-2-carboxamide (CID 109190476) is 5-[(4-methoxyphenyl)methylamino]-N-(3-methylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(4-methoxyphenyl)methylamino]-N-(3-methylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(4-methoxyphenyl)methylamino]-N-(3-methylbutyl)pyridine-2-carboxamide is COc1ccc(CNc2ccc(C(=O)NCCC(C)C)nc2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methylamino]-N-(3-methylbutyl)pyridine-2-carboxamide?
The InChIKey is WYRJIAWROSUBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(2)10-11-20-19(23)18-9-6-16(13-22-18)21-12-15-4-7-17(24-3)8-5-15/h4-9,13-14,21H,10-12H2,1-3H3,(H,20,23).
What are the key properties of 5-[(4-methoxyphenyl)methylamino]-N-(3-methylbutyl)pyridine-2-carboxamide?
5-[(4-methoxyphenyl)methylamino]-N-(3-methylbutyl)pyridine-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methylamino]-N-(3-methylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 109190476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).