4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide

C21H20FN3O2 — CID 109214542

IUPAC4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(Nc3ccccc3F)ccn2)cc1
InChIInChI=1S/C21H20FN3O2/c1-27-17-8-6-15(7-9-17)10-12-24-21(26)20-14-16(11-13-23-20)25-19-5-3-2-4-18(19)22/h2-9,11,13-14H,10,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyNRJBLTGOEFGJOC-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.95
Rot. Bonds7

About 4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide

4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109214542) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
PubChem CID109214542
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(Nc3ccccc3F)ccn2)cc1
InChIInChI=1S/C21H20FN3O2/c1-27-17-8-6-15(7-9-17)10-12-24-21(26)20-14-16(11-13-23-20)25-19-5-3-2-4-18(19)22/h2-9,11,13-14H,10,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyNRJBLTGOEFGJOC-UHFFFAOYSA-N
XLogP3.95
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-4-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214551
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214179
4-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214438
N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212249
N-(2-fluorophenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109220605
N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209636
4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide
CID 109217523
N-(2,6-difluorophenyl)-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214633
4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212198
N-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210055
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
4-(2-ethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide
CID 109216750

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide (CID 109214542) is 4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide is COc1ccc(CCNC(=O)c2cc(Nc3ccccc3F)ccn2)cc1.
What is the InChIKey of 4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is NRJBLTGOEFGJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-27-17-8-6-15(7-9-17)10-12-24-21(26)20-14-16(11-13-23-20)25-19-5-3-2-4-18(19)22/h2-9,11,13-14H,10,12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109214542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).