1-methyl-N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]piperidine-4-carboxamide

C19H21N5O2 — CID 155295670

IUPAC1-methyl-N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]piperidine-4-carboxamide
SMILESCc1nnc(-c2ccc3cnc(NC(=O)C4CCN(C)CC4)cc3c2)o1
InChIInChI=1S/C19H21N5O2/c1-12-22-23-19(26-12)14-3-4-15-11-20-17(10-16(15)9-14)21-18(25)13-5-7-24(2)8-6-13/h3-4,9-11,13H,5-8H2,1-2H3,(H,20,21,25)
InChIKeyQPVJAHRCWNXBMW-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.87
Rot. Bonds3

About 1-methyl-N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]piperidine-4-carboxamide

1-methyl-N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]piperidine-4-carboxamide (PubChem CID 155295670) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-methyl-N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]piperidine-4-carboxamide
PubChem CID155295670
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-methyl-N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]piperidine-4-carboxamide
SMILESCc1nnc(-c2ccc3cnc(NC(=O)C4CCN(C)CC4)cc3c2)o1
InChIInChI=1S/C19H21N5O2/c1-12-22-23-19(26-12)14-3-4-15-11-20-17(10-16(15)9-14)21-18(25)13-5-7-24(2)8-6-13/h3-4,9-11,13H,5-8H2,1-2H3,(H,20,21,25)
InChIKeyQPVJAHRCWNXBMW-UHFFFAOYSA-N
XLogP2.87
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]piperidine-4-carboxamide (CID 155295670) is 1-methyl-N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]piperidine-4-carboxamide is Cc1nnc(-c2ccc3cnc(NC(=O)C4CCN(C)CC4)cc3c2)o1.
What is the InChIKey of 1-methyl-N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]piperidine-4-carboxamide?
The InChIKey is QPVJAHRCWNXBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-22-23-19(26-12)14-3-4-15-11-20-17(10-16(15)9-14)21-18(25)13-5-7-24(2)8-6-13/h3-4,9-11,13H,5-8H2,1-2H3,(H,20,21,25).
What are the key properties of 1-methyl-N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]piperidine-4-carboxamide?
1-methyl-N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]piperidine-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 155295670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).