N'-cyclopentyl-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide

C23H27FN4O3 — CID 3204852

IUPACN'-cyclopentyl-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESO=C(CN(C(=O)CCC(=O)Nc1ccccn1)C1CCCC1)NCc1ccc(F)cc1
InChIInChI=1S/C23H27FN4O3/c24-18-10-8-17(9-11-18)15-26-22(30)16-28(19-5-1-2-6-19)23(31)13-12-21(29)27-20-7-3-4-14-25-20/h3-4,7-11,14,19H,1-2,5-6,12-13,15-16H2,(H,26,30)(H,25,27,29)
InChIKeyKWSNLJMWRCWOCX-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.03
Rot. Bonds9

About N'-cyclopentyl-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide

N'-cyclopentyl-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide (PubChem CID 3204852) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is N'-cyclopentyl-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-cyclopentyl-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide
PubChem CID3204852
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC NameN'-cyclopentyl-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide
SMILESO=C(CN(C(=O)CCC(=O)Nc1ccccn1)C1CCCC1)NCc1ccc(F)cc1
InChIInChI=1S/C23H27FN4O3/c24-18-10-8-17(9-11-18)15-26-22(30)16-28(19-5-1-2-6-19)23(31)13-12-21(29)27-20-7-3-4-14-25-20/h3-4,7-11,14,19H,1-2,5-6,12-13,15-16H2,(H,26,30)(H,25,27,29)
InChIKeyKWSNLJMWRCWOCX-UHFFFAOYSA-N
XLogP3.03
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-cyclopentyl-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide (CID 3204852) is N'-cyclopentyl-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-cyclopentyl-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-cyclopentyl-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide is O=C(CN(C(=O)CCC(=O)Nc1ccccn1)C1CCCC1)NCc1ccc(F)cc1.
What is the InChIKey of N'-cyclopentyl-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
The InChIKey is KWSNLJMWRCWOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c24-18-10-8-17(9-11-18)15-26-22(30)16-28(19-5-1-2-6-19)23(31)13-12-21(29)27-20-7-3-4-14-25-20/h3-4,7-11,14,19H,1-2,5-6,12-13,15-16H2,(H,26,30)(H,25,27,29).
What are the key properties of N'-cyclopentyl-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide?
N'-cyclopentyl-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide has a molecular weight of 426.49 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 3204852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).