[2-(furan-2-ylmethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

C21H22N4O2 — CID 109169331

IUPAC[2-(furan-2-ylmethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccnc(NCc2ccco2)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H22N4O2/c26-21(25-12-10-24(11-13-25)18-5-2-1-3-6-18)17-8-9-22-20(15-17)23-16-19-7-4-14-27-19/h1-9,14-15H,10-13,16H2,(H,22,23)
InChIKeyJRJKWCSNAFRZBV-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.25
Rot. Bonds5

About [2-(furan-2-ylmethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

[2-(furan-2-ylmethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109169331) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109169331
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[2-(furan-2-ylmethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccnc(NCc2ccco2)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H22N4O2/c26-21(25-12-10-24(11-13-25)18-5-2-1-3-6-18)17-8-9-22-20(15-17)23-16-19-7-4-14-27-19/h1-9,14-15H,10-13,16H2,(H,22,23)
InChIKeyJRJKWCSNAFRZBV-UHFFFAOYSA-N
XLogP3.25
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109168056
[6-(furan-2-ylmethylamino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109155308
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109346154
[2-[2-(furan-2-yl)ethylamino]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 134709793
[2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109166097
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109209475
[2-(furan-2-ylmethylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109255106
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(furan-2-ylmethylamino)-4-pyridinyl]methanone
CID 109169350
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109303288
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-ylmethylamino)-3-pyridinyl]methanone
CID 109231488
N-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide
CID 109169290
[4-(furan-2-ylmethylamino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109209484

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-(furan-2-ylmethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (CID 109169331) is [2-(furan-2-ylmethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(furan-2-ylmethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccnc(NCc2ccco2)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is JRJKWCSNAFRZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21(25-12-10-24(11-13-25)18-5-2-1-3-6-18)17-8-9-22-20(15-17)23-16-19-7-4-14-27-19/h1-9,14-15H,10-13,16H2,(H,22,23).
What are the key properties of [2-(furan-2-ylmethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
[2-(furan-2-ylmethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 362.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109169331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).