3-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)pyrazine-2,3-dicarboxamide

C17H18N4O2 — CID 86786028

IUPAC3-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)pyrazine-2,3-dicarboxamide
SMILESCc1ccc2c(c1)C(NC(=O)c1nccnc1C(N)=O)C(C)C2
InChIInChI=1S/C17H18N4O2/c1-9-3-4-11-8-10(2)13(12(11)7-9)21-17(23)15-14(16(18)22)19-5-6-20-15/h3-7,10,13H,8H2,1-2H3,(H2,18,22)(H,21,23)
InChIKeyULYSBMWYZJXHMA-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.55
Rot. Bonds3

About 3-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)pyrazine-2,3-dicarboxamide

3-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)pyrazine-2,3-dicarboxamide (PubChem CID 86786028) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)pyrazine-2,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)pyrazine-2,3-dicarboxamide
PubChem CID86786028
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)pyrazine-2,3-dicarboxamide
SMILESCc1ccc2c(c1)C(NC(=O)c1nccnc1C(N)=O)C(C)C2
InChIInChI=1S/C17H18N4O2/c1-9-3-4-11-8-10(2)13(12(11)7-9)21-17(23)15-14(16(18)22)19-5-6-20-15/h3-7,10,13H,8H2,1-2H3,(H2,18,22)(H,21,23)
InChIKeyULYSBMWYZJXHMA-UHFFFAOYSA-N
XLogP1.55
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-{[(2-methylphenyl)carbonyl]amino}ethyl)pyrazine-2-carboxamide
CID 6498552
N-(2-{[(3-methylphenyl)carbonyl]amino}ethyl)pyrazine-2-carboxamide
CID 6498553
N-(3-{[(2-methylphenyl)carbonyl]amino}propyl)pyrazine-2-carboxamide
CID 6498580
N-[1-(4-propylphenyl)ethyl]pyrazine-2-carboxamide
CID 3245347
(S)-N-(1-amino-4-methyl-1-oxopentan-2-yl)-5,6-dip-tolylpyrazine-2-carboxamide
CID 11640292
[(1R)-3-methyl-1-[[3-(4-methylphenyl)-3-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid
CID 45139393
N-(2-{[(4-methylphenyl)carbonyl]amino}ethyl)pyrazine-2-carboxamide
CID 6498554
Pyrazine-2-carboxylic acid [3-(4-isopropyl-benzoylamino)-propyl]-amide
CID 6498582
Bortezomib Impurity H
CID 68731692
N-(3-{[(4-tert-butylphenyl)carbonyl]amino}propyl)pyrazine-2-carboxamide
CID 17019766
5,6-bis(4-methylphenyl)-N-(2-oxopyrrolidin-3-yl)pyrazine-2-carboxamide
CID 44440742
N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxo-3-pyrrolidinyl]-2-pyrazinecarboxamide
CID 45252166

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)pyrazine-2,3-dicarboxamide?
The IUPAC name of 3-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)pyrazine-2,3-dicarboxamide (CID 86786028) is 3-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)pyrazine-2,3-dicarboxamide.
What is the SMILES notation for 3-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)pyrazine-2,3-dicarboxamide?
The canonical SMILES for 3-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)pyrazine-2,3-dicarboxamide is Cc1ccc2c(c1)C(NC(=O)c1nccnc1C(N)=O)C(C)C2.
What is the InChIKey of 3-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)pyrazine-2,3-dicarboxamide?
The InChIKey is ULYSBMWYZJXHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-9-3-4-11-8-10(2)13(12(11)7-9)21-17(23)15-14(16(18)22)19-5-6-20-15/h3-7,10,13H,8H2,1-2H3,(H2,18,22)(H,21,23).
What are the key properties of 3-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)pyrazine-2,3-dicarboxamide?
3-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)pyrazine-2,3-dicarboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)pyrazine-2,3-dicarboxamide is sourced from PubChem (CID 86786028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).