N'-(2-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide

C20H23FN4O4 — CID 3205214

IUPACN'-(2-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESCOCCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccccc1F
InChIInChI=1S/C20H23FN4O4/c1-29-13-12-23-19(27)14-25(16-7-3-2-6-15(16)21)20(28)10-9-18(26)24-17-8-4-5-11-22-17/h2-8,11H,9-10,12-14H2,1H3,(H,23,27)(H,22,24,26)
InChIKeyDQTXBSOBJIYXHI-UHFFFAOYSA-N
MW402.43 g/mol
LogP1.74
Rot. Bonds10

About N'-(2-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide

N'-(2-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide (PubChem CID 3205214) has the molecular formula C20H23FN4O4 and a molecular weight of 402.43 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
PubChem CID3205214
Molecular FormulaC20H23FN4O4
Molecular Weight402.43 g/mol
Exact Mass402.17
IUPAC NameN'-(2-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESCOCCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccccc1F
InChIInChI=1S/C20H23FN4O4/c1-29-13-12-23-19(27)14-25(16-7-3-2-6-15(16)21)20(28)10-9-18(26)24-17-8-4-5-11-22-17/h2-8,11H,9-10,12-14H2,1H3,(H,23,27)(H,22,24,26)
InChIKeyDQTXBSOBJIYXHI-UHFFFAOYSA-N
XLogP1.74
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-(2-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide (CID 3205214) is N'-(2-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-(2-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-(2-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide is COCCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccccc1F.
What is the InChIKey of N'-(2-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The InChIKey is DQTXBSOBJIYXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O4/c1-29-13-12-23-19(27)14-25(16-7-3-2-6-15(16)21)20(28)10-9-18(26)24-17-8-4-5-11-22-17/h2-8,11H,9-10,12-14H2,1H3,(H,23,27)(H,22,24,26).
What are the key properties of N'-(2-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
N'-(2-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide has a molecular weight of 402.43 g/mol, XLogP of 1.74, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 3205214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).