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

C20H27N3O2 — CID 109173026

IUPAC2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyridine-4-carboxamide
SMILESCOc1ccc(CCNc2cc(C(=O)NCCC(C)C)ccn2)cc1
InChIInChI=1S/C20H27N3O2/c1-15(2)8-11-23-20(24)17-10-13-22-19(14-17)21-12-9-16-4-6-18(25-3)7-5-16/h4-7,10,13-15H,8-9,11-12H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyCFLWCLKJPYIFAS-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.52
Rot. Bonds9

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

2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyridine-4-carboxamide (PubChem CID 109173026) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyridine-4-carboxamide
PubChem CID109173026
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyridine-4-carboxamide
SMILESCOc1ccc(CCNc2cc(C(=O)NCCC(C)C)ccn2)cc1
InChIInChI=1S/C20H27N3O2/c1-15(2)8-11-23-20(24)17-10-13-22-19(14-17)21-12-9-16-4-6-18(25-3)7-5-16/h4-7,10,13-15H,8-9,11-12H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyCFLWCLKJPYIFAS-UHFFFAOYSA-N
XLogP3.52
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165659
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165735
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylbutylamino)pyridine-4-carboxamide
CID 109173781
2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169909
2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109166672
N-cycloheptyl-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109173025
N-[3-(4-methoxyphenyl)propyl]-2-(methylamino)pyridine-4-carboxamide
CID 74243419
2-[2-(3-methoxyphenyl)ethylamino]-N-propylpyridine-4-carboxamide
CID 109165037
2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbothioamide
CID 24704732
2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide
CID 109165043
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109166660
N-(2-methoxyethyl)-2-[2-(4-sulfamoylphenyl)ethylamino]pyridine-4-carboxamide
CID 109166763

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyridine-4-carboxamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyridine-4-carboxamide (CID 109173026) is 2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyridine-4-carboxamide is COc1ccc(CCNc2cc(C(=O)NCCC(C)C)ccn2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyridine-4-carboxamide?
The InChIKey is CFLWCLKJPYIFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(2)8-11-23-20(24)17-10-13-22-19(14-17)21-12-9-16-4-6-18(25-3)7-5-16/h4-7,10,13-15H,8-9,11-12H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyridine-4-carboxamide?
2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyridine-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyridine-4-carboxamide is sourced from PubChem (CID 109173026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).