(1R)-1-[(3,6-diethylpyrazin-2-yl)amino]-1,3-dihydroinden-2-one

C17H19N3O — CID 142247240

IUPAC(1R)-1-[(3,6-diethylpyrazin-2-yl)amino]-1,3-dihydroinden-2-one
SMILESCCc1cnc(CC)c(N[C@H]2C(=O)Cc3ccccc32)n1
InChIInChI=1S/C17H19N3O/c1-3-12-10-18-14(4-2)17(19-12)20-16-13-8-6-5-7-11(13)9-15(16)21/h5-8,10,16H,3-4,9H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyIMEFEQYPRGLZDC-MRXNPFEDSA-N
MW281.36 g/mol
LogP2.88
Rot. Bonds4

About (1R)-1-[(3,6-diethylpyrazin-2-yl)amino]-1,3-dihydroinden-2-one

(1R)-1-[(3,6-diethylpyrazin-2-yl)amino]-1,3-dihydroinden-2-one (PubChem CID 142247240) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (1R)-1-[(3,6-diethylpyrazin-2-yl)amino]-1,3-dihydroinden-2-one.

Molecular Properties

Compound Name(1R)-1-[(3,6-diethylpyrazin-2-yl)amino]-1,3-dihydroinden-2-one
PubChem CID142247240
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(1R)-1-[(3,6-diethylpyrazin-2-yl)amino]-1,3-dihydroinden-2-one
SMILESCCc1cnc(CC)c(N[C@H]2C(=O)Cc3ccccc32)n1
InChIInChI=1S/C17H19N3O/c1-3-12-10-18-14(4-2)17(19-12)20-16-13-8-6-5-7-11(13)9-15(16)21/h5-8,10,16H,3-4,9H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyIMEFEQYPRGLZDC-MRXNPFEDSA-N
XLogP2.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3,6-diethylpyrazin-2-yl)amino]-1,3-dihydroinden-2-one?
The IUPAC name of (1R)-1-[(3,6-diethylpyrazin-2-yl)amino]-1,3-dihydroinden-2-one (CID 142247240) is (1R)-1-[(3,6-diethylpyrazin-2-yl)amino]-1,3-dihydroinden-2-one.
What is the SMILES notation for (1R)-1-[(3,6-diethylpyrazin-2-yl)amino]-1,3-dihydroinden-2-one?
The canonical SMILES for (1R)-1-[(3,6-diethylpyrazin-2-yl)amino]-1,3-dihydroinden-2-one is CCc1cnc(CC)c(N[C@H]2C(=O)Cc3ccccc32)n1.
What is the InChIKey of (1R)-1-[(3,6-diethylpyrazin-2-yl)amino]-1,3-dihydroinden-2-one?
The InChIKey is IMEFEQYPRGLZDC-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-12-10-18-14(4-2)17(19-12)20-16-13-8-6-5-7-11(13)9-15(16)21/h5-8,10,16H,3-4,9H2,1-2H3,(H,19,20)/t16-/m1/s1.
What are the key properties of (1R)-1-[(3,6-diethylpyrazin-2-yl)amino]-1,3-dihydroinden-2-one?
(1R)-1-[(3,6-diethylpyrazin-2-yl)amino]-1,3-dihydroinden-2-one has a molecular weight of 281.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3,6-diethylpyrazin-2-yl)amino]-1,3-dihydroinden-2-one is sourced from PubChem (CID 142247240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).