N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]pyridine-2-carboxamide

C22H20FN3O3 — CID 134803930

IUPACN-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(F)cc1-c1cccc(C(=O)NCCNC(=O)c2ccccn2)c1
InChIInChI=1S/C22H20FN3O3/c1-29-20-9-8-17(23)14-18(20)15-5-4-6-16(13-15)21(27)25-11-12-26-22(28)19-7-2-3-10-24-19/h2-10,13-14H,11-12H2,1H3,(H,25,27)(H,26,28)
InChIKeyWCHDHVVBIPXYER-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.06
Rot. Bonds7

About N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]pyridine-2-carboxamide

N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]pyridine-2-carboxamide (PubChem CID 134803930) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]pyridine-2-carboxamide
PubChem CID134803930
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC NameN-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(F)cc1-c1cccc(C(=O)NCCNC(=O)c2ccccn2)c1
InChIInChI=1S/C22H20FN3O3/c1-29-20-9-8-17(23)14-18(20)15-5-4-6-16(13-15)21(27)25-11-12-26-22(28)19-7-2-3-10-24-19/h2-10,13-14H,11-12H2,1H3,(H,25,27)(H,26,28)
InChIKeyWCHDHVVBIPXYER-UHFFFAOYSA-N
XLogP3.06
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]pyridine-2-carboxamide (CID 134803930) is N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]pyridine-2-carboxamide is COc1ccc(F)cc1-c1cccc(C(=O)NCCNC(=O)c2ccccn2)c1.
What is the InChIKey of N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]pyridine-2-carboxamide?
The InChIKey is WCHDHVVBIPXYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-29-20-9-8-17(23)14-18(20)15-5-4-6-16(13-15)21(27)25-11-12-26-22(28)19-7-2-3-10-24-19/h2-10,13-14H,11-12H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]pyridine-2-carboxamide?
N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]pyridine-2-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 134803930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).