4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

C21H25FN4O2 — CID 109206768

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(N2CCN(c3ccc(F)cc3)CC2)ccn1
InChIInChI=1S/C21H25FN4O2/c22-16-3-5-17(6-4-16)25-9-11-26(12-10-25)18-7-8-23-20(14-18)21(27)24-15-19-2-1-13-28-19/h3-8,14,19H,1-2,9-13,15H2,(H,24,27)
InChIKeyVYSISEDLJYXJGH-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.46
Rot. Bonds5

About 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109206768) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109206768
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(N2CCN(c3ccc(F)cc3)CC2)ccn1
InChIInChI=1S/C21H25FN4O2/c22-16-3-5-17(6-4-16)25-9-11-26(12-10-25)18-7-8-23-20(14-18)21(27)24-15-19-2-1-13-28-19/h3-8,14,19H,1-2,9-13,15H2,(H,24,27)
InChIKeyVYSISEDLJYXJGH-UHFFFAOYSA-N
XLogP2.46
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206773
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
N-(oxolan-2-ylmethyl)-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109344010
N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109185060
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
5-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 99599447
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184994
N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109300925
N-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109207121
4-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62173174
6-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343891
4-N,4-N-diethyl-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083295

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (CID 109206768) is 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is O=C(NCC1CCCO1)c1cc(N2CCN(c3ccc(F)cc3)CC2)ccn1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is VYSISEDLJYXJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c22-16-3-5-17(6-4-16)25-9-11-26(12-10-25)18-7-8-23-20(14-18)21(27)24-15-19-2-1-13-28-19/h3-8,14,19H,1-2,9-13,15H2,(H,24,27).
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109206768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).