4-(N-(2-amino-2-oxoethyl)anilino)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide

C26H21FN4O3 — CID 66799553

IUPAC4-(N-(2-amino-2-oxoethyl)anilino)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
SMILESNC(=O)CN(c1ccccc1)c1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C26H21FN4O3/c27-18-8-12-22(13-9-18)34-21-10-6-17(7-11-21)23-14-20(15-24(30-23)26(29)33)31(16-25(28)32)19-4-2-1-3-5-19/h1-15H,16H2,(H2,28,32)(H2,29,33)
InChIKeyOWIPBIKSRUQZPS-UHFFFAOYSA-N
MW456.48 g/mol
LogP4.40
Rot. Bonds8

About 4-(N-(2-amino-2-oxoethyl)anilino)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide

4-(N-(2-amino-2-oxoethyl)anilino)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide (PubChem CID 66799553) has the molecular formula C26H21FN4O3 and a molecular weight of 456.48 g/mol. Its IUPAC name is 4-(N-(2-amino-2-oxoethyl)anilino)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(N-(2-amino-2-oxoethyl)anilino)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
PubChem CID66799553
Molecular FormulaC26H21FN4O3
Molecular Weight456.48 g/mol
Exact Mass456.16
IUPAC Name4-(N-(2-amino-2-oxoethyl)anilino)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
SMILESNC(=O)CN(c1ccccc1)c1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C26H21FN4O3/c27-18-8-12-22(13-9-18)34-21-10-6-17(7-11-21)23-14-20(15-24(30-23)26(29)33)31(16-25(28)32)19-4-2-1-3-5-19/h1-15H,16H2,(H2,28,32)(H2,29,33)
InChIKeyOWIPBIKSRUQZPS-UHFFFAOYSA-N
XLogP4.40
TPSA111.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(N-(2-amino-2-oxoethyl)anilino)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(N-(2-amino-2-oxoethyl)anilino)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide (CID 66799553) is 4-(N-(2-amino-2-oxoethyl)anilino)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(N-(2-amino-2-oxoethyl)anilino)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(N-(2-amino-2-oxoethyl)anilino)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide is NC(=O)CN(c1ccccc1)c1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1.
What is the InChIKey of 4-(N-(2-amino-2-oxoethyl)anilino)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is OWIPBIKSRUQZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O3/c27-18-8-12-22(13-9-18)34-21-10-6-17(7-11-21)23-14-20(15-24(30-23)26(29)33)31(16-25(28)32)19-4-2-1-3-5-19/h1-15H,16H2,(H2,28,32)(H2,29,33).
What are the key properties of 4-(N-(2-amino-2-oxoethyl)anilino)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
4-(N-(2-amino-2-oxoethyl)anilino)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 456.48 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-(2-amino-2-oxoethyl)anilino)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 66799553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).