N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyridine-4-carboxamide

C22H22FN3O3 — CID 109173792

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyridine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccnc(Nc3ccc(F)cc3)c2)cc1OC
InChIInChI=1S/C22H22FN3O3/c1-28-19-8-3-15(13-20(19)29-2)9-11-25-22(27)16-10-12-24-21(14-16)26-18-6-4-17(23)5-7-18/h3-8,10,12-14H,9,11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyITWNJQYBOQWOPV-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.95
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyridine-4-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyridine-4-carboxamide (PubChem CID 109173792) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyridine-4-carboxamide
PubChem CID109173792
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyridine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccnc(Nc3ccc(F)cc3)c2)cc1OC
InChIInChI=1S/C22H22FN3O3/c1-28-19-8-3-15(13-20(19)29-2)9-11-25-22(27)16-10-12-24-21(14-16)26-18-6-4-17(23)5-7-18/h3-8,10,12-14H,9,11H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyITWNJQYBOQWOPV-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109309729
2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide
CID 109173887
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylbutylamino)pyridine-4-carboxamide
CID 109173781
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170648
N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62185958
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109166621
2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172768
2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172626
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082174
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 109173810
4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
CID 9391807
2-(3,4-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172746

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyridine-4-carboxamide (CID 109173792) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyridine-4-carboxamide is COc1ccc(CCNC(=O)c2ccnc(Nc3ccc(F)cc3)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyridine-4-carboxamide?
The InChIKey is ITWNJQYBOQWOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-28-19-8-3-15(13-20(19)29-2)9-11-25-22(27)16-10-12-24-21(14-16)26-18-6-4-17(23)5-7-18/h3-8,10,12-14H,9,11H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyridine-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyridine-4-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109173792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).