N-(2-cyclopentylethyl)-2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide

C27H37FN4O2 — CID 59529173

IUPACN-(2-cyclopentylethyl)-2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
SMILESCN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCCC4CCCC4)nc3)c(F)c2)CC1
InChIInChI=1S/C27H37FN4O2/c1-31-12-14-32(15-13-31)16-17-34-24-8-9-25(26(28)19-24)22-6-7-23(30-20-22)18-27(33)29-11-10-21-4-2-3-5-21/h6-9,19-21H,2-5,10-18H2,1H3,(H,29,33)
InChIKeyQPFBDKBNWTWVDW-UHFFFAOYSA-N
MW468.62 g/mol
LogP3.75
Rot. Bonds10

About N-(2-cyclopentylethyl)-2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide

N-(2-cyclopentylethyl)-2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide (PubChem CID 59529173) has the molecular formula C27H37FN4O2 and a molecular weight of 468.62 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
PubChem CID59529173
Molecular FormulaC27H37FN4O2
Molecular Weight468.62 g/mol
Exact Mass468.29
IUPAC NameN-(2-cyclopentylethyl)-2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
SMILESCN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCCC4CCCC4)nc3)c(F)c2)CC1
InChIInChI=1S/C27H37FN4O2/c1-31-12-14-32(15-13-31)16-17-34-24-8-9-25(26(28)19-24)22-6-7-23(30-20-22)18-27(33)29-11-10-21-4-2-3-5-21/h6-9,19-21H,2-5,10-18H2,1H3,(H,29,33)
InChIKeyQPFBDKBNWTWVDW-UHFFFAOYSA-N
XLogP3.75
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-(2-cyclopentylethyl)-2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide (CID 59529173) is N-(2-cyclopentylethyl)-2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-(2-cyclopentylethyl)-2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-(2-cyclopentylethyl)-2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide is CN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCCC4CCCC4)nc3)c(F)c2)CC1.
What is the InChIKey of N-(2-cyclopentylethyl)-2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
The InChIKey is QPFBDKBNWTWVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37FN4O2/c1-31-12-14-32(15-13-31)16-17-34-24-8-9-25(26(28)19-24)22-6-7-23(30-20-22)18-27(33)29-11-10-21-4-2-3-5-21/h6-9,19-21H,2-5,10-18H2,1H3,(H,29,33).
What are the key properties of N-(2-cyclopentylethyl)-2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
N-(2-cyclopentylethyl)-2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide has a molecular weight of 468.62 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 59529173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).