N-(2,3-dihydro-1H-inden-5-yl)-5-(ethylamino)pyrazine-2-carboxamide

C16H18N4O — CID 107374031

IUPACN-(2,3-dihydro-1H-inden-5-yl)-5-(ethylamino)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)Nc2ccc3c(c2)CCC3)cn1
InChIInChI=1S/C16H18N4O/c1-2-17-15-10-18-14(9-19-15)16(21)20-13-7-6-11-4-3-5-12(11)8-13/h6-10H,2-5H2,1H3,(H,17,19)(H,20,21)
InChIKeyGEDVOLZFLQTZSO-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.65
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-5-(ethylamino)pyrazine-2-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-5-(ethylamino)pyrazine-2-carboxamide (PubChem CID 107374031) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-5-(ethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-5-(ethylamino)pyrazine-2-carboxamide
PubChem CID107374031
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-5-(ethylamino)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)Nc2ccc3c(c2)CCC3)cn1
InChIInChI=1S/C16H18N4O/c1-2-17-15-10-18-14(9-19-15)16(21)20-13-7-6-11-4-3-5-12(11)8-13/h6-10H,2-5H2,1H3,(H,17,19)(H,20,21)
InChIKeyGEDVOLZFLQTZSO-UHFFFAOYSA-N
XLogP2.65
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.65
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-5-yl)-5-(ethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-5-(ethylamino)pyrazine-2-carboxamide (CID 107374031) is N-(2,3-dihydro-1H-inden-5-yl)-5-(ethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-5-(ethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-5-(ethylamino)pyrazine-2-carboxamide is CCNc1cnc(C(=O)Nc2ccc3c(c2)CCC3)cn1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-5-(ethylamino)pyrazine-2-carboxamide?
The InChIKey is GEDVOLZFLQTZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-17-15-10-18-14(9-19-15)16(21)20-13-7-6-11-4-3-5-12(11)8-13/h6-10H,2-5H2,1H3,(H,17,19)(H,20,21).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-5-(ethylamino)pyrazine-2-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-5-(ethylamino)pyrazine-2-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.65, 4 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-5-yl)-5-(ethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107374031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).