1-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)isoquinoline-4-carboxamide

C13H11N5O2 — CID 106772956

IUPAC1-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)isoquinoline-4-carboxamide
SMILESCc1noc(NC(=O)c2cnc(N)c3ccccc23)n1
InChIInChI=1S/C13H11N5O2/c1-7-16-13(20-18-7)17-12(19)10-6-15-11(14)9-5-3-2-4-8(9)10/h2-6H,1H3,(H2,14,15)(H,16,17,18,19)
InChIKeyLZFMNCLIWAAJBF-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.76
Rot. Bonds2

About 1-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)isoquinoline-4-carboxamide

1-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)isoquinoline-4-carboxamide (PubChem CID 106772956) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)isoquinoline-4-carboxamide
PubChem CID106772956
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name1-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)isoquinoline-4-carboxamide
SMILESCc1noc(NC(=O)c2cnc(N)c3ccccc23)n1
InChIInChI=1S/C13H11N5O2/c1-7-16-13(20-18-7)17-12(19)10-6-15-11(14)9-5-3-2-4-8(9)10/h2-6H,1H3,(H2,14,15)(H,16,17,18,19)
InChIKeyLZFMNCLIWAAJBF-UHFFFAOYSA-N
XLogP1.76
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)isoquinoline-4-carboxamide?
The IUPAC name of 1-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)isoquinoline-4-carboxamide (CID 106772956) is 1-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)isoquinoline-4-carboxamide is Cc1noc(NC(=O)c2cnc(N)c3ccccc23)n1.
What is the InChIKey of 1-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)isoquinoline-4-carboxamide?
The InChIKey is LZFMNCLIWAAJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-7-16-13(20-18-7)17-12(19)10-6-15-11(14)9-5-3-2-4-8(9)10/h2-6H,1H3,(H2,14,15)(H,16,17,18,19).
What are the key properties of 1-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)isoquinoline-4-carboxamide?
1-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)isoquinoline-4-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)isoquinoline-4-carboxamide is sourced from PubChem (CID 106772956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).