(2S)-N-propyl-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide;hydrochloride

C18H26ClN3O2 — CID 24747767

IUPAC(2S)-N-propyl-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-2-9-19-17(22)16-8-5-10-21(16)18(23)15-11-13-6-3-4-7-14(13)12-20-15;/h3-4,6-7,15-16,20H,2,5,8-12H2,1H3,(H,19,22);1H/t15-,16-;/m0./s1
InChIKeyQFNOTCRYCRGGPI-MOGJOVFKSA-N
MW351.88 g/mol
LogP1.64
Rot. Bonds4

About (2S)-N-propyl-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-propyl-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 24747767) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is (2S)-N-propyl-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-propyl-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID24747767
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name(2S)-N-propyl-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-2-9-19-17(22)16-8-5-10-21(16)18(23)15-11-13-6-3-4-7-14(13)12-20-15;/h3-4,6-7,15-16,20H,2,5,8-12H2,1H3,(H,19,22);1H/t15-,16-;/m0./s1
InChIKeyQFNOTCRYCRGGPI-MOGJOVFKSA-N
XLogP1.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-propyl-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-propyl-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide;hydrochloride (CID 24747767) is (2S)-N-propyl-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-propyl-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-propyl-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide;hydrochloride is CCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1.Cl.
What is the InChIKey of (2S)-N-propyl-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is QFNOTCRYCRGGPI-MOGJOVFKSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c1-2-9-19-17(22)16-8-5-10-21(16)18(23)15-11-13-6-3-4-7-14(13)12-20-15;/h3-4,6-7,15-16,20H,2,5,8-12H2,1H3,(H,19,22);1H/t15-,16-;/m0./s1.
What are the key properties of (2S)-N-propyl-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-propyl-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-propyl-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 24747767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).