4-hydroxy-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)pyrrolidine-2-carboxamide

C15H19N3O3 — CID 65261906

IUPAC4-hydroxy-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1C(=O)C1CNCc2ccccc21
InChIInChI=1S/C15H19N3O3/c16-14(20)13-5-10(19)8-18(13)15(21)12-7-17-6-9-3-1-2-4-11(9)12/h1-4,10,12-13,17,19H,5-8H2,(H2,16,20)
InChIKeyCQCZPGDHLKCVJP-UHFFFAOYSA-N
MW289.33 g/mol
LogP-0.68
Rot. Bonds2

About 4-hydroxy-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)pyrrolidine-2-carboxamide

4-hydroxy-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 65261906) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-hydroxy-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)pyrrolidine-2-carboxamide
PubChem CID65261906
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name4-hydroxy-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1C(=O)C1CNCc2ccccc21
InChIInChI=1S/C15H19N3O3/c16-14(20)13-5-10(19)8-18(13)15(21)12-7-17-6-9-3-1-2-4-11(9)12/h1-4,10,12-13,17,19H,5-8H2,(H2,16,20)
InChIKeyCQCZPGDHLKCVJP-UHFFFAOYSA-N
XLogP-0.68
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)pyrrolidine-2-carboxamide (CID 65261906) is 4-hydroxy-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)pyrrolidine-2-carboxamide is NC(=O)C1CC(O)CN1C(=O)C1CNCc2ccccc21.
What is the InChIKey of 4-hydroxy-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is CQCZPGDHLKCVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-14(20)13-5-10(19)8-18(13)15(21)12-7-17-6-9-3-1-2-4-11(9)12/h1-4,10,12-13,17,19H,5-8H2,(H2,16,20).
What are the key properties of 4-hydroxy-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)pyrrolidine-2-carboxamide?
4-hydroxy-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 289.33 g/mol, XLogP of -0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 65261906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).