N-(2,3-dihydro-1H-inden-2-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide

C19H22N4O2 — CID 161114883

IUPACN-(2,3-dihydro-1H-inden-2-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide
SMILESCC(C)(C)C(=O)Nc1nccnc1C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C19H22N4O2/c1-19(2,3)18(25)23-16-15(20-8-9-21-16)17(24)22-14-10-12-6-4-5-7-13(12)11-14/h4-9,14H,10-11H2,1-3H3,(H,22,24)(H,21,23,25)
InChIKeyUKEJBKCXADRVQL-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.36
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-2-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide

N-(2,3-dihydro-1H-inden-2-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide (PubChem CID 161114883) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide
PubChem CID161114883
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide
SMILESCC(C)(C)C(=O)Nc1nccnc1C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C19H22N4O2/c1-19(2,3)18(25)23-16-15(20-8-9-21-16)17(24)22-14-10-12-6-4-5-7-13(12)11-14/h4-9,14H,10-11H2,1-3H3,(H,22,24)(H,21,23,25)
InChIKeyUKEJBKCXADRVQL-UHFFFAOYSA-N
XLogP2.36
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide (CID 161114883) is N-(2,3-dihydro-1H-inden-2-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide is CC(C)(C)C(=O)Nc1nccnc1C(=O)NC1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide?
The InChIKey is UKEJBKCXADRVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-19(2,3)18(25)23-16-15(20-8-9-21-16)17(24)22-14-10-12-6-4-5-7-13(12)11-14/h4-9,14H,10-11H2,1-3H3,(H,22,24)(H,21,23,25).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide?
N-(2,3-dihydro-1H-inden-2-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 161114883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).