3-(furan-2-yl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide

C24H26N4O2 — CID 72684566

IUPAC3-(furan-2-yl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1ccccc1N1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C24H26N4O2/c29-24(8-7-21-4-3-19-30-21)26-22-5-1-2-6-23(22)28-17-15-27(16-18-28)14-11-20-9-12-25-13-10-20/h1-10,12-13,19H,11,14-18H2,(H,26,29)
InChIKeyMIUVDJPGINYGND-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.69
Rot. Bonds7

About 3-(furan-2-yl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide

3-(furan-2-yl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide (PubChem CID 72684566) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide
PubChem CID72684566
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name3-(furan-2-yl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1ccccc1N1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C24H26N4O2/c29-24(8-7-21-4-3-19-30-21)26-22-5-1-2-6-23(22)28-17-15-27(16-18-28)14-11-20-9-12-25-13-10-20/h1-10,12-13,19H,11,14-18H2,(H,26,29)
InChIKeyMIUVDJPGINYGND-UHFFFAOYSA-N
XLogP3.69
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-nitrophenyl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 72684567
3-(3,4-dimethoxyphenyl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 75947138
(E)-3-(furan-2-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]prop-2-enamide
CID 6110387
2-(methylamino)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]acetamide;trihydrochloride
CID 119902893
(E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 7406865
N-[3-chloro-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 3977033
4-ethoxy-3-methyl-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]benzamide
CID 86938276
(E)-3-(furan-2-yl)-N-naphthalen-1-ylprop-2-enamide
CID 964287
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
(E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 801873
3-(furan-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 1280315
(E)-N-(2-piperidin-1-ylphenyl)-3-pyrazin-2-ylprop-2-enamide
CID 75363586

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide (CID 72684566) is 3-(furan-2-yl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide is O=C(C=Cc1ccco1)Nc1ccccc1N1CCN(CCc2ccncc2)CC1.
What is the InChIKey of 3-(furan-2-yl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide?
The InChIKey is MIUVDJPGINYGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-24(8-7-21-4-3-19-30-21)26-22-5-1-2-6-23(22)28-17-15-27(16-18-28)14-11-20-9-12-25-13-10-20/h1-10,12-13,19H,11,14-18H2,(H,26,29).
What are the key properties of 3-(furan-2-yl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide?
3-(furan-2-yl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide has a molecular weight of 402.50 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 72684566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).