5-[(1-methylpiperidin-4-yl)amino]-3-[(Z)-3-phenoxyprop-2-enyl]furo[2,3-c]pyridine-2-carbonitrile

C23H24N4O2 — CID 172598412

IUPAC5-[(1-methylpiperidin-4-yl)amino]-3-[(Z)-3-phenoxyprop-2-enyl]furo[2,3-c]pyridine-2-carbonitrile
SMILESCN1CCC(Nc2cc3c(C/C=C\Oc4ccccc4)c(C#N)oc3cn2)CC1
InChIInChI=1S/C23H24N4O2/c1-27-11-9-17(10-12-27)26-23-14-20-19(21(15-24)29-22(20)16-25-23)8-5-13-28-18-6-3-2-4-7-18/h2-7,13-14,16-17H,8-12H2,1H3,(H,25,26)/b13-5-
InChIKeyIDNWBWCPTNKAMH-ACAGNQJTSA-N
MW388.47 g/mol
LogP4.34
Rot. Bonds6

About 5-[(1-methylpiperidin-4-yl)amino]-3-[(Z)-3-phenoxyprop-2-enyl]furo[2,3-c]pyridine-2-carbonitrile

5-[(1-methylpiperidin-4-yl)amino]-3-[(Z)-3-phenoxyprop-2-enyl]furo[2,3-c]pyridine-2-carbonitrile (PubChem CID 172598412) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-[(1-methylpiperidin-4-yl)amino]-3-[(Z)-3-phenoxyprop-2-enyl]furo[2,3-c]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-methylpiperidin-4-yl)amino]-3-[(Z)-3-phenoxyprop-2-enyl]furo[2,3-c]pyridine-2-carbonitrile
PubChem CID172598412
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name5-[(1-methylpiperidin-4-yl)amino]-3-[(Z)-3-phenoxyprop-2-enyl]furo[2,3-c]pyridine-2-carbonitrile
SMILESCN1CCC(Nc2cc3c(C/C=C\Oc4ccccc4)c(C#N)oc3cn2)CC1
InChIInChI=1S/C23H24N4O2/c1-27-11-9-17(10-12-27)26-23-14-20-19(21(15-24)29-22(20)16-25-23)8-5-13-28-18-6-3-2-4-7-18/h2-7,13-14,16-17H,8-12H2,1H3,(H,25,26)/b13-5-
InChIKeyIDNWBWCPTNKAMH-ACAGNQJTSA-N
XLogP4.34
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpiperidin-4-yl)amino]-3-[(Z)-3-phenoxyprop-2-enyl]furo[2,3-c]pyridine-2-carbonitrile?
The IUPAC name of 5-[(1-methylpiperidin-4-yl)amino]-3-[(Z)-3-phenoxyprop-2-enyl]furo[2,3-c]pyridine-2-carbonitrile (CID 172598412) is 5-[(1-methylpiperidin-4-yl)amino]-3-[(Z)-3-phenoxyprop-2-enyl]furo[2,3-c]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(1-methylpiperidin-4-yl)amino]-3-[(Z)-3-phenoxyprop-2-enyl]furo[2,3-c]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(1-methylpiperidin-4-yl)amino]-3-[(Z)-3-phenoxyprop-2-enyl]furo[2,3-c]pyridine-2-carbonitrile is CN1CCC(Nc2cc3c(C/C=C\Oc4ccccc4)c(C#N)oc3cn2)CC1.
What is the InChIKey of 5-[(1-methylpiperidin-4-yl)amino]-3-[(Z)-3-phenoxyprop-2-enyl]furo[2,3-c]pyridine-2-carbonitrile?
The InChIKey is IDNWBWCPTNKAMH-ACAGNQJTSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-27-11-9-17(10-12-27)26-23-14-20-19(21(15-24)29-22(20)16-25-23)8-5-13-28-18-6-3-2-4-7-18/h2-7,13-14,16-17H,8-12H2,1H3,(H,25,26)/b13-5-.
What are the key properties of 5-[(1-methylpiperidin-4-yl)amino]-3-[(Z)-3-phenoxyprop-2-enyl]furo[2,3-c]pyridine-2-carbonitrile?
5-[(1-methylpiperidin-4-yl)amino]-3-[(Z)-3-phenoxyprop-2-enyl]furo[2,3-c]pyridine-2-carbonitrile has a molecular weight of 388.47 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpiperidin-4-yl)amino]-3-[(Z)-3-phenoxyprop-2-enyl]furo[2,3-c]pyridine-2-carbonitrile is sourced from PubChem (CID 172598412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).