N-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide

C17H15N3O2 — CID 51317152

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc2cc(CNC(=O)c3cnccn3)ccc2c1
InChIInChI=1S/C17H15N3O2/c1-22-15-5-4-13-8-12(2-3-14(13)9-15)10-20-17(21)16-11-18-6-7-19-16/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyICGUXTBZUGHORG-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.57
Rot. Bonds4

About N-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide

N-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide (PubChem CID 51317152) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide
PubChem CID51317152
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc2cc(CNC(=O)c3cnccn3)ccc2c1
InChIInChI=1S/C17H15N3O2/c1-22-15-5-4-13-8-12(2-3-14(13)9-15)10-20-17(21)16-11-18-6-7-19-16/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyICGUXTBZUGHORG-UHFFFAOYSA-N
XLogP2.57
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide (CID 51317152) is N-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide is COc1ccc2cc(CNC(=O)c3cnccn3)ccc2c1.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is ICGUXTBZUGHORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-15-5-4-13-8-12(2-3-14(13)9-15)10-20-17(21)16-11-18-6-7-19-16/h2-9,11H,10H2,1H3,(H,20,21).
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide?
N-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 51317152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).