N-cyclopropyl-1-hydrazinyl-N-propylisoquinoline-3-carboxamide

C16H20N4O — CID 62241182

IUPACN-cyclopropyl-1-hydrazinyl-N-propylisoquinoline-3-carboxamide
SMILESCCCN(C(=O)c1cc2ccccc2c(NN)n1)C1CC1
InChIInChI=1S/C16H20N4O/c1-2-9-20(12-7-8-12)16(21)14-10-11-5-3-4-6-13(11)15(18-14)19-17/h3-6,10,12H,2,7-9,17H2,1H3,(H,18,19)
InChIKeyMYWWPPCKGYREKJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.54
Rot. Bonds5

About N-cyclopropyl-1-hydrazinyl-N-propylisoquinoline-3-carboxamide

N-cyclopropyl-1-hydrazinyl-N-propylisoquinoline-3-carboxamide (PubChem CID 62241182) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-cyclopropyl-1-hydrazinyl-N-propylisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-hydrazinyl-N-propylisoquinoline-3-carboxamide
PubChem CID62241182
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-cyclopropyl-1-hydrazinyl-N-propylisoquinoline-3-carboxamide
SMILESCCCN(C(=O)c1cc2ccccc2c(NN)n1)C1CC1
InChIInChI=1S/C16H20N4O/c1-2-9-20(12-7-8-12)16(21)14-10-11-5-3-4-6-13(11)15(18-14)19-17/h3-6,10,12H,2,7-9,17H2,1H3,(H,18,19)
InChIKeyMYWWPPCKGYREKJ-UHFFFAOYSA-N
XLogP2.54
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-hydrazinyl-N-propylisoquinoline-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-hydrazinyl-N-propylisoquinoline-3-carboxamide (CID 62241182) is N-cyclopropyl-1-hydrazinyl-N-propylisoquinoline-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-hydrazinyl-N-propylisoquinoline-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-hydrazinyl-N-propylisoquinoline-3-carboxamide is CCCN(C(=O)c1cc2ccccc2c(NN)n1)C1CC1.
What is the InChIKey of N-cyclopropyl-1-hydrazinyl-N-propylisoquinoline-3-carboxamide?
The InChIKey is MYWWPPCKGYREKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-9-20(12-7-8-12)16(21)14-10-11-5-3-4-6-13(11)15(18-14)19-17/h3-6,10,12H,2,7-9,17H2,1H3,(H,18,19).
What are the key properties of N-cyclopropyl-1-hydrazinyl-N-propylisoquinoline-3-carboxamide?
N-cyclopropyl-1-hydrazinyl-N-propylisoquinoline-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-hydrazinyl-N-propylisoquinoline-3-carboxamide is sourced from PubChem (CID 62241182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).