N-(1,2-dihydroacenaphthylen-5-yl)-5-methylpyrazine-2-carboxamide

C18H15N3O — CID 18122028

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc3c4c(cccc24)CC3)cn1
InChIInChI=1S/C18H15N3O/c1-11-9-20-16(10-19-11)18(22)21-15-8-7-13-6-5-12-3-2-4-14(15)17(12)13/h2-4,7-10H,5-6H2,1H3,(H,21,22)
InChIKeyFGSMVZHWSUVTDE-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.29
Rot. Bonds2

About N-(1,2-dihydroacenaphthylen-5-yl)-5-methylpyrazine-2-carboxamide

N-(1,2-dihydroacenaphthylen-5-yl)-5-methylpyrazine-2-carboxamide (PubChem CID 18122028) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-5-methylpyrazine-2-carboxamide
PubChem CID18122028
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc3c4c(cccc24)CC3)cn1
InChIInChI=1S/C18H15N3O/c1-11-9-20-16(10-19-11)18(22)21-15-8-7-13-6-5-12-3-2-4-14(15)17(12)13/h2-4,7-10H,5-6H2,1H3,(H,21,22)
InChIKeyFGSMVZHWSUVTDE-UHFFFAOYSA-N
XLogP3.29
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-dihydroacenaphthylen-5-yl)-1,5-dimethylpyrazole-3-carboxamide
CID 16952532
N-(3-amino-2-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 16788765
N-(2,3-dimethylphenyl)-5-methylpyrazine-2-carboxamide
CID 16613943
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazine-2-carboxamide
CID 114490944
N-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51111293
N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide
CID 7533068
N-(2,6-difluorophenyl)-5-methylpyrazine-2-carboxamide
CID 51158953
N-(4-chloro-2-iodophenyl)-5-methylpyrazine-2-carboxamide
CID 113257804
N-(2-carbamoylphenyl)-5-methylpyrazine-2-carboxamide
CID 27687729
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 34573149
N-(2,6-diethylphenyl)-5-methylpyrazine-2-carboxamide
CID 17441034
N-(1,2-dihydroacenaphthylen-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43050486

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-5-methylpyrazine-2-carboxamide (CID 18122028) is N-(1,2-dihydroacenaphthylen-5-yl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2ccc3c4c(cccc24)CC3)cn1.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-5-methylpyrazine-2-carboxamide?
The InChIKey is FGSMVZHWSUVTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-11-9-20-16(10-19-11)18(22)21-15-8-7-13-6-5-12-3-2-4-14(15)17(12)13/h2-4,7-10H,5-6H2,1H3,(H,21,22).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-5-methylpyrazine-2-carboxamide?
N-(1,2-dihydroacenaphthylen-5-yl)-5-methylpyrazine-2-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 18122028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).