(2R)-4-methoxy-N-(2-methyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide

C16H25N3O2 — CID 70309384

IUPAC(2R)-4-methoxy-N-(2-methyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide
SMILESCOC1CN[C@@H](C(=O)NC2=CC3=C(CC2)CN(C)CC3)C1
InChIInChI=1S/C16H25N3O2/c1-19-6-5-11-7-13(4-3-12(11)10-19)18-16(20)15-8-14(21-2)9-17-15/h7,14-15,17H,3-6,8-10H2,1-2H3,(H,18,20)/t14?,15-/m1/s1
InChIKeySNXORVMPQFWPBV-YSSOQSIOSA-N
MW291.39 g/mol
LogP0.79
Rot. Bonds3

About (2R)-4-methoxy-N-(2-methyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide

(2R)-4-methoxy-N-(2-methyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide (PubChem CID 70309384) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2R)-4-methoxy-N-(2-methyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-methoxy-N-(2-methyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide
PubChem CID70309384
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(2R)-4-methoxy-N-(2-methyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide
SMILESCOC1CN[C@@H](C(=O)NC2=CC3=C(CC2)CN(C)CC3)C1
InChIInChI=1S/C16H25N3O2/c1-19-6-5-11-7-13(4-3-12(11)10-19)18-16(20)15-8-14(21-2)9-17-15/h7,14-15,17H,3-6,8-10H2,1-2H3,(H,18,20)/t14?,15-/m1/s1
InChIKeySNXORVMPQFWPBV-YSSOQSIOSA-N
XLogP0.79
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methoxy-N-(2-methyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-4-methoxy-N-(2-methyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide (CID 70309384) is (2R)-4-methoxy-N-(2-methyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-4-methoxy-N-(2-methyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-4-methoxy-N-(2-methyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide is COC1CN[C@@H](C(=O)NC2=CC3=C(CC2)CN(C)CC3)C1.
What is the InChIKey of (2R)-4-methoxy-N-(2-methyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide?
The InChIKey is SNXORVMPQFWPBV-YSSOQSIOSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19-6-5-11-7-13(4-3-12(11)10-19)18-16(20)15-8-14(21-2)9-17-15/h7,14-15,17H,3-6,8-10H2,1-2H3,(H,18,20)/t14?,15-/m1/s1.
What are the key properties of (2R)-4-methoxy-N-(2-methyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide?
(2R)-4-methoxy-N-(2-methyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methoxy-N-(2-methyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 70309384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).