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

C23H26N4O3 — CID 3576787

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide
SMILESCOc1ccccc1N1CCN(C(CNC(=O)c2ccco2)c2cccnc2)CC1
InChIInChI=1S/C23H26N4O3/c1-29-21-8-3-2-7-19(21)26-11-13-27(14-12-26)20(18-6-4-10-24-16-18)17-25-23(28)22-9-5-15-30-22/h2-10,15-16,20H,11-14,17H2,1H3,(H,25,28)
InChIKeyXBLQAZLPKSLIOW-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.98
Rot. Bonds7

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

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide (PubChem CID 3576787) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide
PubChem CID3576787
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide
SMILESCOc1ccccc1N1CCN(C(CNC(=O)c2ccco2)c2cccnc2)CC1
InChIInChI=1S/C23H26N4O3/c1-29-21-8-3-2-7-19(21)26-11-13-27(14-12-26)20(18-6-4-10-24-16-18)17-25-23(28)22-9-5-15-30-22/h2-10,15-16,20H,11-14,17H2,1H3,(H,25,28)
InChIKeyXBLQAZLPKSLIOW-UHFFFAOYSA-N
XLogP2.98
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide (CID 3576787) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide is COc1ccccc1N1CCN(C(CNC(=O)c2ccco2)c2cccnc2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide?
The InChIKey is XBLQAZLPKSLIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-29-21-8-3-2-7-19(21)26-11-13-27(14-12-26)20(18-6-4-10-24-16-18)17-25-23(28)22-9-5-15-30-22/h2-10,15-16,20H,11-14,17H2,1H3,(H,25,28).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 3576787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).