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

C22H27FN4O2 — CID 59542661

IUPACN-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide
SMILESCN1CCN(c2ccc(CN(C(=O)C3CCOC3)c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C22H27FN4O2/c1-25-9-11-26(12-10-25)21-7-2-17(14-24-21)15-27(20-5-3-19(23)4-6-20)22(28)18-8-13-29-16-18/h2-7,14,18H,8-13,15-16H2,1H3
InChIKeyZGHKNNRDPUESPE-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.54
Rot. Bonds5

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

N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide (PubChem CID 59542661) 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-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide
PubChem CID59542661
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC NameN-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide
SMILESCN1CCN(c2ccc(CN(C(=O)C3CCOC3)c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C22H27FN4O2/c1-25-9-11-26(12-10-25)21-7-2-17(14-24-21)15-27(20-5-3-19(23)4-6-20)22(28)18-8-13-29-16-18/h2-7,14,18H,8-13,15-16H2,1H3
InChIKeyZGHKNNRDPUESPE-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(2-(phenylamino)pyridin-4-yl)pyridin-2-yl)-tetrahydrofuran-3-carboxamide
CID 10247954
N-(4-(2-(4-fluorophenylamino)pyridin-4-yl)pyridin-2-yl)-tetrahydro-2H-pyran-4-carboxamide
CID 44408670
(+)-N-(4-(2-(4-fluorophenylamino)pyridin-4-yl)pyridin-2-yl)-tetrahydrofuran-3-carboxamide
CID 44408944
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluoro-2-pyridinyl)propanamide
CID 126509280
(3S)-N-(4-(2-(4-fluorophenylamino)pyridin-4-yl)pyridin-2-yl)-tetrahydrofuran-3-carboxamide
CID 44444992
N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(3-fluoro-2-pyridinyl)propanamide
CID 162666096
US10550105, Example 466
CID 154826139
US10550105, Example 473
CID 154826146
US10550105, Example 673
CID 154826411
N-[2-(4-benzylpiperidin-1-yl)propyl]-N-(3-fluoro-2-pyridinyl)propanamide
CID 166632679
1-(4-Ethylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 16274316
1-(4-Methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 16278074

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide (CID 59542661) is N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide is CN1CCN(c2ccc(CN(C(=O)C3CCOC3)c3ccc(F)cc3)cn2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide?
The InChIKey is ZGHKNNRDPUESPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-25-9-11-26(12-10-25)21-7-2-17(14-24-21)15-27(20-5-3-19(23)4-6-20)22(28)18-8-13-29-16-18/h2-7,14,18H,8-13,15-16H2,1H3.
What are the key properties of N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide?
N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 2.54, 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-3-carboxamide is sourced from PubChem (CID 59542661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).