N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-2-carboxamide

C22H27FN4O2 — CID 24989699

IUPACN-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-2-carboxamide
SMILESCN1CCN(c2ccc(CN(C(=O)C3CCCO3)c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C22H27FN4O2/c1-25-10-12-26(13-11-25)21-9-4-17(15-24-21)16-27(19-7-5-18(23)6-8-19)22(28)20-3-2-14-29-20/h4-9,15,20H,2-3,10-14,16H2,1H3
InChIKeyDAQFDLCFZWCSKI-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.68
Rot. Bonds5

About N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-2-carboxamide

N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-2-carboxamide (PubChem CID 24989699) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-2-carboxamide
PubChem CID24989699
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC NameN-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-2-carboxamide
SMILESCN1CCN(c2ccc(CN(C(=O)C3CCCO3)c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C22H27FN4O2/c1-25-10-12-26(13-11-25)21-9-4-17(15-24-21)16-27(19-7-5-18(23)6-8-19)22(28)20-3-2-14-29-20/h4-9,15,20H,2-3,10-14,16H2,1H3
InChIKeyDAQFDLCFZWCSKI-UHFFFAOYSA-N
XLogP2.68
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-2-carboxamide (CID 24989699) is N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-2-carboxamide is CN1CCN(c2ccc(CN(C(=O)C3CCCO3)c3ccc(F)cc3)cn2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-2-carboxamide?
The InChIKey is DAQFDLCFZWCSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-25-10-12-26(13-11-25)21-9-4-17(15-24-21)16-27(19-7-5-18(23)6-8-19)22(28)20-3-2-14-29-20/h4-9,15,20H,2-3,10-14,16H2,1H3.
What are the key properties of N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-2-carboxamide?
N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-2-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 24989699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).