(11bR)-N-(6-methoxy-3-pyridinyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline-9-carboxamide

C19H22N4O2 — CID 129137439

IUPAC(11bR)-N-(6-methoxy-3-pyridinyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline-9-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)CCN2CCNC[C@@H]32)cn1
InChIInChI=1S/C19H22N4O2/c1-25-18-5-3-15(11-21-18)22-19(24)14-2-4-16-13(10-14)6-8-23-9-7-20-12-17(16)23/h2-5,10-11,17,20H,6-9,12H2,1H3,(H,22,24)/t17-/m0/s1
InChIKeyZZNZCCDHEQBJSK-KRWDZBQOSA-N
MW338.41 g/mol
LogP1.84
Rot. Bonds3

About (11bR)-N-(6-methoxy-3-pyridinyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline-9-carboxamide

(11bR)-N-(6-methoxy-3-pyridinyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline-9-carboxamide (PubChem CID 129137439) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (11bR)-N-(6-methoxy-3-pyridinyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline-9-carboxamide.

Molecular Properties

Compound Name(11bR)-N-(6-methoxy-3-pyridinyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline-9-carboxamide
PubChem CID129137439
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(11bR)-N-(6-methoxy-3-pyridinyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline-9-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)CCN2CCNC[C@@H]32)cn1
InChIInChI=1S/C19H22N4O2/c1-25-18-5-3-15(11-21-18)22-19(24)14-2-4-16-13(10-14)6-8-23-9-7-20-12-17(16)23/h2-5,10-11,17,20H,6-9,12H2,1H3,(H,22,24)/t17-/m0/s1
InChIKeyZZNZCCDHEQBJSK-KRWDZBQOSA-N
XLogP1.84
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (11bR)-N-(6-methoxy-3-pyridinyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (11bR)-N-(6-methoxy-3-pyridinyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline-9-carboxamide?
The IUPAC name of (11bR)-N-(6-methoxy-3-pyridinyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline-9-carboxamide (CID 129137439) is (11bR)-N-(6-methoxy-3-pyridinyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline-9-carboxamide.
What is the SMILES notation for (11bR)-N-(6-methoxy-3-pyridinyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline-9-carboxamide?
The canonical SMILES for (11bR)-N-(6-methoxy-3-pyridinyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline-9-carboxamide is COc1ccc(NC(=O)c2ccc3c(c2)CCN2CCNC[C@@H]32)cn1.
What is the InChIKey of (11bR)-N-(6-methoxy-3-pyridinyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline-9-carboxamide?
The InChIKey is ZZNZCCDHEQBJSK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-25-18-5-3-15(11-21-18)22-19(24)14-2-4-16-13(10-14)6-8-23-9-7-20-12-17(16)23/h2-5,10-11,17,20H,6-9,12H2,1H3,(H,22,24)/t17-/m0/s1.
What are the key properties of (11bR)-N-(6-methoxy-3-pyridinyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline-9-carboxamide?
(11bR)-N-(6-methoxy-3-pyridinyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline-9-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11bR)-N-(6-methoxy-3-pyridinyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline-9-carboxamide is sourced from PubChem (CID 129137439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).