1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide

C15H19N3O2 — CID 104896094

IUPAC1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C15H19N3O2/c16-14(19)13-6-3-7-18(13)15(20)12-8-10-4-1-2-5-11(10)9-17-12/h1-2,4-5,12-13,17H,3,6-9H2,(H2,16,19)/t12-,13?/m0/s1
InChIKeyVSCMGSAGQNVQEK-UEWDXFNNSA-N
MW273.34 g/mol
LogP0.18
Rot. Bonds2

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

1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 104896094) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide
PubChem CID104896094
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C15H19N3O2/c16-14(19)13-6-3-7-18(13)15(20)12-8-10-4-1-2-5-11(10)9-17-12/h1-2,4-5,12-13,17H,3,6-9H2,(H2,16,19)/t12-,13?/m0/s1
InChIKeyVSCMGSAGQNVQEK-UEWDXFNNSA-N
XLogP0.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide
CID 61147948
methyl (2R)-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxylate;hydrochloride
CID 67873772
4-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)morpholine-3-carboxamide
CID 83097534
2-[1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370364
2-[1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61371545
(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 10369655
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 62889291
(2S)-N-(4-methoxyphenyl)-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide
CID 40805739
1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4962026
(2R)-N-(furan-2-ylmethyl)-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide
CID 40958031
N-(2,4-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidine-2-carboxamide
CID 4902936
(2S)-N-(oxolan-2-ylmethyl)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 44666751

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide (CID 104896094) is 1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1.
What is the InChIKey of 1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is VSCMGSAGQNVQEK-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-14(19)13-6-3-7-18(13)15(20)12-8-10-4-1-2-5-11(10)9-17-12/h1-2,4-5,12-13,17H,3,6-9H2,(H2,16,19)/t12-,13?/m0/s1.
What are the key properties of 1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide?
1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 104896094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).