N-(2,5-dimethoxyphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide

C22H22FN3O3 — CID 109158661

IUPACN-(2,5-dimethoxyphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(NCCc3ccc(F)cc3)nc2)c1
InChIInChI=1S/C22H22FN3O3/c1-28-18-8-9-20(29-2)19(13-18)26-22(27)16-5-10-21(25-14-16)24-12-11-15-3-6-17(23)7-4-15/h3-10,13-14H,11-12H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyWMAYOLUKZLXHFF-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.14
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide

N-(2,5-dimethoxyphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide (PubChem CID 109158661) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
PubChem CID109158661
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN-(2,5-dimethoxyphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(NCCc3ccc(F)cc3)nc2)c1
InChIInChI=1S/C22H22FN3O3/c1-28-18-8-9-20(29-2)19(13-18)26-22(27)16-5-10-21(25-14-16)24-12-11-15-3-6-17(23)7-4-15/h3-10,13-14H,11-12H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyWMAYOLUKZLXHFF-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

6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109158658
N-(2,5-dimethoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158252
N-(2-methoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158244
N-(5-chloro-2-methoxyphenyl)-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156639
N-(2,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284563
N-(2-ethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109159006
4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013432
6-(3,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 109164336
N-(4-fluorophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109158776
N-(4-chlorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109159015
N-(2,5-dimethoxyphenyl)-6-(3,4-dimethylanilino)pyridine-3-carboxamide
CID 109162635
6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109160906

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide (CID 109158661) is N-(2,5-dimethoxyphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide is COc1ccc(OC)c(NC(=O)c2ccc(NCCc3ccc(F)cc3)nc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide?
The InChIKey is WMAYOLUKZLXHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-28-18-8-9-20(29-2)19(13-18)26-22(27)16-5-10-21(25-14-16)24-12-11-15-3-6-17(23)7-4-15/h3-10,13-14H,11-12H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of N-(2,5-dimethoxyphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide?
N-(2,5-dimethoxyphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-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 N-(2,5-dimethoxyphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109158661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).