N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]isoquinoline-1-carboxamide

C18H13N5O3 — CID 137092972

IUPACN-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]isoquinoline-1-carboxamide
SMILESO=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1nccc2ccccc12
InChIInChI=1S/C18H13N5O3/c24-17-13(6-3-8-20-17)16-22-14(26-23-16)10-21-18(25)15-12-5-2-1-4-11(12)7-9-19-15/h1-9H,10H2,(H,20,24)(H,21,25)
InChIKeyRRKIQTBZEWFSHT-UHFFFAOYSA-N
MW347.33 g/mol
LogP1.90
Rot. Bonds4

About N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]isoquinoline-1-carboxamide

N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]isoquinoline-1-carboxamide (PubChem CID 137092972) has the molecular formula C18H13N5O3 and a molecular weight of 347.33 g/mol. Its IUPAC name is N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]isoquinoline-1-carboxamide
PubChem CID137092972
Molecular FormulaC18H13N5O3
Molecular Weight347.33 g/mol
Exact Mass347.10
IUPAC NameN-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]isoquinoline-1-carboxamide
SMILESO=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1nccc2ccccc12
InChIInChI=1S/C18H13N5O3/c24-17-13(6-3-8-20-17)16-22-14(26-23-16)10-21-18(25)15-12-5-2-1-4-11(12)7-9-19-15/h1-9H,10H2,(H,20,24)(H,21,25)
InChIKeyRRKIQTBZEWFSHT-UHFFFAOYSA-N
XLogP1.90
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]isoquinoline-1-carboxamide with MolForge

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Related Compounds

N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
CID 136666477
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 136967128
5-methyl-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
CID 137092974
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 136666454
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 136666510
3-chloro-4-fluoro-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 136666497
2-(6-oxopyridazin-1-yl)-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 136666488
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 136962336
3-fluoro-4-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 136666505
7-methoxy-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-benzofuran-2-carboxamide
CID 136666450
ethyl 2-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]propanoate
CID 136962352
1-(4-fluorophenyl)-5-oxo-N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxamide
CID 136962328

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]isoquinoline-1-carboxamide?
The IUPAC name of N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]isoquinoline-1-carboxamide (CID 137092972) is N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]isoquinoline-1-carboxamide.
What is the SMILES notation for N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]isoquinoline-1-carboxamide?
The canonical SMILES for N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]isoquinoline-1-carboxamide is O=C(NCc1nc(-c2ccc[nH]c2=O)no1)c1nccc2ccccc12.
What is the InChIKey of N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]isoquinoline-1-carboxamide?
The InChIKey is RRKIQTBZEWFSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O3/c24-17-13(6-3-8-20-17)16-22-14(26-23-16)10-21-18(25)15-12-5-2-1-4-11(12)7-9-19-15/h1-9H,10H2,(H,20,24)(H,21,25).
What are the key properties of N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]isoquinoline-1-carboxamide?
N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]isoquinoline-1-carboxamide has a molecular weight of 347.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-oxo-1H-pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]isoquinoline-1-carboxamide is sourced from PubChem (CID 137092972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).