1-cyano-N-phenyl-2-(propylideneamino)-5,6,7,8-tetrahydroindolizine-3-carboxamide

C19H20N4O — CID 155553481

IUPAC1-cyano-N-phenyl-2-(propylideneamino)-5,6,7,8-tetrahydroindolizine-3-carboxamide
SMILESCC/C=N/c1c(C#N)c2n(c1C(=O)Nc1ccccc1)CCCC2
InChIInChI=1S/C19H20N4O/c1-2-11-21-17-15(13-20)16-10-6-7-12-23(16)18(17)19(24)22-14-8-4-3-5-9-14/h3-5,8-9,11H,2,6-7,10,12H2,1H3,(H,22,24)/b21-11+
InChIKeyWFUZFBZSOJKKFQ-SRZZPIQSSA-N
MW320.40 g/mol
LogP4.06
Rot. Bonds4

About 1-cyano-N-phenyl-2-(propylideneamino)-5,6,7,8-tetrahydroindolizine-3-carboxamide

1-cyano-N-phenyl-2-(propylideneamino)-5,6,7,8-tetrahydroindolizine-3-carboxamide (PubChem CID 155553481) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-cyano-N-phenyl-2-(propylideneamino)-5,6,7,8-tetrahydroindolizine-3-carboxamide.

Molecular Properties

Compound Name1-cyano-N-phenyl-2-(propylideneamino)-5,6,7,8-tetrahydroindolizine-3-carboxamide
PubChem CID155553481
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-cyano-N-phenyl-2-(propylideneamino)-5,6,7,8-tetrahydroindolizine-3-carboxamide
SMILESCC/C=N/c1c(C#N)c2n(c1C(=O)Nc1ccccc1)CCCC2
InChIInChI=1S/C19H20N4O/c1-2-11-21-17-15(13-20)16-10-6-7-12-23(16)18(17)19(24)22-14-8-4-3-5-9-14/h3-5,8-9,11H,2,6-7,10,12H2,1H3,(H,22,24)/b21-11+
InChIKeyWFUZFBZSOJKKFQ-SRZZPIQSSA-N
XLogP4.06
TPSA70.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-phenyl-2-(propylideneamino)-5,6,7,8-tetrahydroindolizine-3-carboxamide?
The IUPAC name of 1-cyano-N-phenyl-2-(propylideneamino)-5,6,7,8-tetrahydroindolizine-3-carboxamide (CID 155553481) is 1-cyano-N-phenyl-2-(propylideneamino)-5,6,7,8-tetrahydroindolizine-3-carboxamide.
What is the SMILES notation for 1-cyano-N-phenyl-2-(propylideneamino)-5,6,7,8-tetrahydroindolizine-3-carboxamide?
The canonical SMILES for 1-cyano-N-phenyl-2-(propylideneamino)-5,6,7,8-tetrahydroindolizine-3-carboxamide is CC/C=N/c1c(C#N)c2n(c1C(=O)Nc1ccccc1)CCCC2.
What is the InChIKey of 1-cyano-N-phenyl-2-(propylideneamino)-5,6,7,8-tetrahydroindolizine-3-carboxamide?
The InChIKey is WFUZFBZSOJKKFQ-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-11-21-17-15(13-20)16-10-6-7-12-23(16)18(17)19(24)22-14-8-4-3-5-9-14/h3-5,8-9,11H,2,6-7,10,12H2,1H3,(H,22,24)/b21-11+.
What are the key properties of 1-cyano-N-phenyl-2-(propylideneamino)-5,6,7,8-tetrahydroindolizine-3-carboxamide?
1-cyano-N-phenyl-2-(propylideneamino)-5,6,7,8-tetrahydroindolizine-3-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-phenyl-2-(propylideneamino)-5,6,7,8-tetrahydroindolizine-3-carboxamide is sourced from PubChem (CID 155553481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).