N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-fluorophenyl)-N-pyridin-2-ylpentanediamide

C23H27FN4O3 — CID 3197446

IUPACN'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-fluorophenyl)-N-pyridin-2-ylpentanediamide
SMILESO=C(CCCC(=O)N(CC(=O)NC1CCCC1)c1cccc(F)c1)Nc1ccccn1
InChIInChI=1S/C23H27FN4O3/c24-17-7-5-10-19(15-17)28(16-22(30)26-18-8-1-2-9-18)23(31)13-6-12-21(29)27-20-11-3-4-14-25-20/h3-5,7,10-11,14-15,18H,1-2,6,8-9,12-13,16H2,(H,26,30)(H,25,27,29)
InChIKeyJKZFDYXJBLXYDI-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.42
Rot. Bonds9

About N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-fluorophenyl)-N-pyridin-2-ylpentanediamide

N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-fluorophenyl)-N-pyridin-2-ylpentanediamide (PubChem CID 3197446) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-fluorophenyl)-N-pyridin-2-ylpentanediamide.

Molecular Properties

Compound NameN'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-fluorophenyl)-N-pyridin-2-ylpentanediamide
PubChem CID3197446
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC NameN'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-fluorophenyl)-N-pyridin-2-ylpentanediamide
SMILESO=C(CCCC(=O)N(CC(=O)NC1CCCC1)c1cccc(F)c1)Nc1ccccn1
InChIInChI=1S/C23H27FN4O3/c24-17-7-5-10-19(15-17)28(16-22(30)26-18-8-1-2-9-18)23(31)13-6-12-21(29)27-20-11-3-4-14-25-20/h3-5,7,10-11,14-15,18H,1-2,6,8-9,12-13,16H2,(H,26,30)(H,25,27,29)
InChIKeyJKZFDYXJBLXYDI-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-fluorophenyl)-N-pyridin-2-ylpentanediamide?
The IUPAC name of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-fluorophenyl)-N-pyridin-2-ylpentanediamide (CID 3197446) is N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-fluorophenyl)-N-pyridin-2-ylpentanediamide.
What is the SMILES notation for N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-fluorophenyl)-N-pyridin-2-ylpentanediamide?
The canonical SMILES for N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-fluorophenyl)-N-pyridin-2-ylpentanediamide is O=C(CCCC(=O)N(CC(=O)NC1CCCC1)c1cccc(F)c1)Nc1ccccn1.
What is the InChIKey of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-fluorophenyl)-N-pyridin-2-ylpentanediamide?
The InChIKey is JKZFDYXJBLXYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c24-17-7-5-10-19(15-17)28(16-22(30)26-18-8-1-2-9-18)23(31)13-6-12-21(29)27-20-11-3-4-14-25-20/h3-5,7,10-11,14-15,18H,1-2,6,8-9,12-13,16H2,(H,26,30)(H,25,27,29).
What are the key properties of N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-fluorophenyl)-N-pyridin-2-ylpentanediamide?
N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-fluorophenyl)-N-pyridin-2-ylpentanediamide has a molecular weight of 426.49 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3-fluorophenyl)-N-pyridin-2-ylpentanediamide is sourced from PubChem (CID 3197446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).