N-(3-cyclopentylpropyl)-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide

C28H39FN4O2 — CID 25102146

IUPACN-(3-cyclopentylpropyl)-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide
SMILESCN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCCCC4CCCC4)cn3)c(F)c2)CC1
InChIInChI=1S/C28H39FN4O2/c1-32-13-15-33(16-14-32)17-18-35-24-9-10-25(26(29)20-24)27-11-8-23(21-31-27)19-28(34)30-12-4-7-22-5-2-3-6-22/h8-11,20-22H,2-7,12-19H2,1H3,(H,30,34)
InChIKeyDQYGYALGIAYRGN-UHFFFAOYSA-N
MW482.64 g/mol
LogP4.14
Rot. Bonds11

About N-(3-cyclopentylpropyl)-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide

N-(3-cyclopentylpropyl)-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide (PubChem CID 25102146) has the molecular formula C28H39FN4O2 and a molecular weight of 482.64 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide
PubChem CID25102146
Molecular FormulaC28H39FN4O2
Molecular Weight482.64 g/mol
Exact Mass482.31
IUPAC NameN-(3-cyclopentylpropyl)-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide
SMILESCN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCCCC4CCCC4)cn3)c(F)c2)CC1
InChIInChI=1S/C28H39FN4O2/c1-32-13-15-33(16-14-32)17-18-35-24-9-10-25(26(29)20-24)27-11-8-23(21-31-27)19-28(34)30-12-4-7-22-5-2-3-6-22/h8-11,20-22H,2-7,12-19H2,1H3,(H,30,34)
InChIKeyDQYGYALGIAYRGN-UHFFFAOYSA-N
XLogP4.14
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.64
LogP ≤ 54.14
H-Bond Donors ≤ 51
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-(3-cyclopentylpropyl)-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide?
The IUPAC name of N-(3-cyclopentylpropyl)-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide (CID 25102146) is N-(3-cyclopentylpropyl)-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide is CN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCCCC4CCCC4)cn3)c(F)c2)CC1.
What is the InChIKey of N-(3-cyclopentylpropyl)-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide?
The InChIKey is DQYGYALGIAYRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39FN4O2/c1-32-13-15-33(16-14-32)17-18-35-24-9-10-25(26(29)20-24)27-11-8-23(21-31-27)19-28(34)30-12-4-7-22-5-2-3-6-22/h8-11,20-22H,2-7,12-19H2,1H3,(H,30,34).
What are the key properties of N-(3-cyclopentylpropyl)-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide?
N-(3-cyclopentylpropyl)-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide has a molecular weight of 482.64 g/mol, XLogP of 4.14, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-2-[6-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 25102146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).