N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide

C14H15N3O — CID 114491001

IUPACN-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cccc2c1CNCC2)c1ccc[nH]1
InChIInChI=1S/C14H15N3O/c18-14(13-5-2-7-16-13)17-12-4-1-3-10-6-8-15-9-11(10)12/h1-5,7,15-16H,6,8-9H2,(H,17,18)
InChIKeySDWJLCYAUIZXAM-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.91
Rot. Bonds2

About N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide

N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide (PubChem CID 114491001) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide
PubChem CID114491001
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cccc2c1CNCC2)c1ccc[nH]1
InChIInChI=1S/C14H15N3O/c18-14(13-5-2-7-16-13)17-12-4-1-3-10-6-8-15-9-11(10)12/h1-5,7,15-16H,6,8-9H2,(H,17,18)
InChIKeySDWJLCYAUIZXAM-UHFFFAOYSA-N
XLogP1.91
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide (CID 114491001) is N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide is O=C(Nc1cccc2c1CNCC2)c1ccc[nH]1.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is SDWJLCYAUIZXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14(13-5-2-7-16-13)17-12-4-1-3-10-6-8-15-9-11(10)12/h1-5,7,15-16H,6,8-9H2,(H,17,18).
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide?
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 114491001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).