N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-oxo-1H-pyrazine-3-carboxamide

C14H14N4O2 — CID 105357560

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)CNC2)c1c[nH]c(=O)cn1
InChIInChI=1S/C14H14N4O2/c19-13-8-16-12(7-17-13)14(20)18-4-9-1-2-10-5-15-6-11(10)3-9/h1-3,7-8,15H,4-6H2,(H,17,19)(H,18,20)
InChIKeyDUQZCQPRQCXHFF-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.30
Rot. Bonds3

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-oxo-1H-pyrazine-3-carboxamide

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 105357560) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID105357560
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)CNC2)c1c[nH]c(=O)cn1
InChIInChI=1S/C14H14N4O2/c19-13-8-16-12(7-17-13)14(20)18-4-9-1-2-10-5-15-6-11(10)3-9/h1-3,7-8,15H,4-6H2,(H,17,19)(H,18,20)
InChIKeyDUQZCQPRQCXHFF-UHFFFAOYSA-N
XLogP0.30
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-oxo-1H-pyrazine-3-carboxamide (CID 105357560) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-oxo-1H-pyrazine-3-carboxamide is O=C(NCc1ccc2c(c1)CNC2)c1c[nH]c(=O)cn1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is DUQZCQPRQCXHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c19-13-8-16-12(7-17-13)14(20)18-4-9-1-2-10-5-15-6-11(10)3-9/h1-3,7-8,15H,4-6H2,(H,17,19)(H,18,20).
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-oxo-1H-pyrazine-3-carboxamide?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 105357560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).