1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide

C16H19N3O — CID 80554412

IUPAC1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)Nc1cccc2c1CCNC2
InChIInChI=1S/C16H19N3O/c1-2-19-10-4-7-15(19)16(20)18-14-6-3-5-12-11-17-9-8-13(12)14/h3-7,10,17H,2,8-9,11H2,1H3,(H,18,20)
InChIKeyQSROKXPIQFKFFH-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.41
Rot. Bonds3

About 1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide

1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide (PubChem CID 80554412) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide
PubChem CID80554412
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)Nc1cccc2c1CCNC2
InChIInChI=1S/C16H19N3O/c1-2-19-10-4-7-15(19)16(20)18-14-6-3-5-12-11-17-9-8-13(12)14/h3-7,10,17H,2,8-9,11H2,1H3,(H,18,20)
InChIKeyQSROKXPIQFKFFH-UHFFFAOYSA-N
XLogP2.41
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide
CID 80548058
1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrazole-3-carboxamide
CID 103117436
3-bromo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80554328
2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808455
2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547895
2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 80554575
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-ethylpyrrole-2-carboxamide
CID 43638963
2-hydroxy-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 80547709
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-carboxamide
CID 80554310
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide
CID 80554577
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-3-carboxamide
CID 80554325
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808436

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide (CID 80554412) is 1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide is CCn1cccc1C(=O)Nc1cccc2c1CCNC2.
What is the InChIKey of 1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide?
The InChIKey is QSROKXPIQFKFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-19-10-4-7-15(19)16(20)18-14-6-3-5-12-11-17-9-8-13(12)14/h3-7,10,17H,2,8-9,11H2,1H3,(H,18,20).
What are the key properties of 1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide?
1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 80554412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).