N-[[5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)furan-2-yl]methyl]pyridine-3-carboxamide

C20H19N3O3 — CID 11163897

IUPACN-[[5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)furan-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(-c2c[nH]c(=O)c3c2CCCC3)o1)c1cccnc1
InChIInChI=1S/C20H19N3O3/c24-19(13-4-3-9-21-10-13)22-11-14-7-8-18(26-14)17-12-23-20(25)16-6-2-1-5-15(16)17/h3-4,7-10,12H,1-2,5-6,11H2,(H,22,24)(H,23,25)
InChIKeyTYQQGXIVTCKDRV-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.84
Rot. Bonds4

About N-[[5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)furan-2-yl]methyl]pyridine-3-carboxamide

N-[[5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)furan-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 11163897) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[[5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)furan-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)furan-2-yl]methyl]pyridine-3-carboxamide
PubChem CID11163897
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[[5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)furan-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(-c2c[nH]c(=O)c3c2CCCC3)o1)c1cccnc1
InChIInChI=1S/C20H19N3O3/c24-19(13-4-3-9-21-10-13)22-11-14-7-8-18(26-14)17-12-23-20(25)16-6-2-1-5-15(16)17/h3-4,7-10,12H,1-2,5-6,11H2,(H,22,24)(H,23,25)
InChIKeyTYQQGXIVTCKDRV-UHFFFAOYSA-N
XLogP2.84
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)furan-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)furan-2-yl]methyl]pyridine-3-carboxamide (CID 11163897) is N-[[5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)furan-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)furan-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)furan-2-yl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc(-c2c[nH]c(=O)c3c2CCCC3)o1)c1cccnc1.
What is the InChIKey of N-[[5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)furan-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is TYQQGXIVTCKDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-19(13-4-3-9-21-10-13)22-11-14-7-8-18(26-14)17-12-23-20(25)16-6-2-1-5-15(16)17/h3-4,7-10,12H,1-2,5-6,11H2,(H,22,24)(H,23,25).
What are the key properties of N-[[5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)furan-2-yl]methyl]pyridine-3-carboxamide?
N-[[5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)furan-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)furan-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 11163897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).