2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-fluorophenyl)pyridine-4-carboxamide

C22H22FN3O3 — CID 109173810

IUPAC2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-fluorophenyl)pyridine-4-carboxamide
SMILESCOc1ccc(CCNc2cc(C(=O)Nc3cccc(F)c3)ccn2)cc1OC
InChIInChI=1S/C22H22FN3O3/c1-28-19-7-6-15(12-20(19)29-2)8-10-24-21-13-16(9-11-25-21)22(27)26-18-5-3-4-17(23)14-18/h3-7,9,11-14H,8,10H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyAWTXXJVRNRBDFM-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.14
Rot. Bonds8

About 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-fluorophenyl)pyridine-4-carboxamide

2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-fluorophenyl)pyridine-4-carboxamide (PubChem CID 109173810) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-fluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-fluorophenyl)pyridine-4-carboxamide
PubChem CID109173810
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-fluorophenyl)pyridine-4-carboxamide
SMILESCOc1ccc(CCNc2cc(C(=O)Nc3cccc(F)c3)ccn2)cc1OC
InChIInChI=1S/C22H22FN3O3/c1-28-19-7-6-15(12-20(19)29-2)8-10-24-21-13-16(9-11-25-21)22(27)26-18-5-3-4-17(23)14-18/h3-7,9,11-14H,8,10H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyAWTXXJVRNRBDFM-UHFFFAOYSA-N
XLogP4.14
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62166192
N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172686
N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109173957
N-(3,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172961
6-[(3,4-dimethoxyphenyl)methylamino]-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109159913
2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109165609
N-(3-acetylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172828
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyridine-4-carboxamide
CID 109173792
2-(3-chloro-4-methoxyanilino)-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 109177807
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylbutylamino)pyridine-4-carboxamide
CID 109173781
2-[2-(3-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109172917
2-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 109175993

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-fluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-fluorophenyl)pyridine-4-carboxamide (CID 109173810) is 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-fluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-fluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-fluorophenyl)pyridine-4-carboxamide is COc1ccc(CCNc2cc(C(=O)Nc3cccc(F)c3)ccn2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-fluorophenyl)pyridine-4-carboxamide?
The InChIKey is AWTXXJVRNRBDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-28-19-7-6-15(12-20(19)29-2)8-10-24-21-13-16(9-11-25-21)22(27)26-18-5-3-4-17(23)14-18/h3-7,9,11-14H,8,10H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-fluorophenyl)pyridine-4-carboxamide?
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-fluorophenyl)pyridine-4-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-fluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109173810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).