N-(isoquinolin-5-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide

C17H18N4O2 — CID 56879074

IUPACN-(isoquinolin-5-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCCc1nnc(C(=O)N(C)Cc2cccc3cnccc23)o1
InChIInChI=1S/C17H18N4O2/c1-3-5-15-19-20-16(23-15)17(22)21(2)11-13-7-4-6-12-10-18-9-8-14(12)13/h4,6-10H,3,5,11H2,1-2H3
InChIKeyFDIYBNPOEPPOHE-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.84
Rot. Bonds5

About N-(isoquinolin-5-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide

N-(isoquinolin-5-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 56879074) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(isoquinolin-5-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(isoquinolin-5-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID56879074
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(isoquinolin-5-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCCc1nnc(C(=O)N(C)Cc2cccc3cnccc23)o1
InChIInChI=1S/C17H18N4O2/c1-3-5-15-19-20-16(23-15)17(22)21(2)11-13-7-4-6-12-10-18-9-8-14(12)13/h4,6-10H,3,5,11H2,1-2H3
InChIKeyFDIYBNPOEPPOHE-UHFFFAOYSA-N
XLogP2.84
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-propyl-N-(pyrazin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 56879661
6-(hydroxymethyl)-N-(isoquinolin-5-ylmethyl)-N-methylpyridine-2-carboxamide
CID 70722014
N-[(4-methoxyphenyl)methyl]-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide
CID 56865237
N-(isoquinolin-5-ylmethyl)-N-methyl-4-(1,2,4-triazol-4-yl)benzamide
CID 56744886
3-acetamido-N-(isoquinolin-5-ylmethyl)-N-methylpropanamide
CID 131927016
N-(isoquinolin-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 70773424
2-isoquinolin-5-ylacetamide
CID 68785768
N-(isoquinolin-5-ylmethyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 70721639
N-methyl-N-(3-phenylpropyl)-5-propyl-1,3,4-oxadiazole-2-carboxamide
CID 56873346
N-(isoquinolin-5-ylmethyl)-N-methylmethanesulfonamide
CID 131936529
3-isoquinolin-5-ylpropanamide
CID 82578287
(3S)-3-[[isoquinolin-5-ylmethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 126450614

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-5-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(isoquinolin-5-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide (CID 56879074) is N-(isoquinolin-5-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(isoquinolin-5-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(isoquinolin-5-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide is CCCc1nnc(C(=O)N(C)Cc2cccc3cnccc23)o1.
What is the InChIKey of N-(isoquinolin-5-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is FDIYBNPOEPPOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-5-15-19-20-16(23-15)17(22)21(2)11-13-7-4-6-12-10-18-9-8-14(12)13/h4,6-10H,3,5,11H2,1-2H3.
What are the key properties of N-(isoquinolin-5-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide?
N-(isoquinolin-5-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-5-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 56879074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).