N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide

C22H23FN4O2 — CID 3590080

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide
SMILESO=C(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccco1
InChIInChI=1S/C22H23FN4O2/c23-18-5-7-19(8-6-18)26-10-12-27(13-11-26)20(17-3-1-9-24-15-17)16-25-22(28)21-4-2-14-29-21/h1-9,14-15,20H,10-13,16H2,(H,25,28)
InChIKeyNICIBKGNCYVQSO-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.11
Rot. Bonds6

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide (PubChem CID 3590080) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide
PubChem CID3590080
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide
SMILESO=C(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccco1
InChIInChI=1S/C22H23FN4O2/c23-18-5-7-19(8-6-18)26-10-12-27(13-11-26)20(17-3-1-9-24-15-17)16-25-22(28)21-4-2-14-29-21/h1-9,14-15,20H,10-13,16H2,(H,25,28)
InChIKeyNICIBKGNCYVQSO-UHFFFAOYSA-N
XLogP3.11
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide (CID 3590080) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide is O=C(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccco1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide?
The InChIKey is NICIBKGNCYVQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c23-18-5-7-19(8-6-18)26-10-12-27(13-11-26)20(17-3-1-9-24-15-17)16-25-22(28)21-4-2-14-29-21/h1-9,14-15,20H,10-13,16H2,(H,25,28).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 3590080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).