3-amino-N-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazine-2-carboxamide

C20H18N6O — CID 118573154

IUPAC3-amino-N-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazine-2-carboxamide
SMILESCC(NC(=O)c1nccnc1N)c1cc2ccccn2c1-c1ccccn1
InChIInChI=1S/C20H18N6O/c1-13(25-20(27)17-19(21)24-10-9-23-17)15-12-14-6-3-5-11-26(14)18(15)16-7-2-4-8-22-16/h2-13H,1H3,(H2,21,24)(H,25,27)
InChIKeyYJPZNSCHODNLJB-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.86
Rot. Bonds4

About 3-amino-N-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazine-2-carboxamide

3-amino-N-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 118573154) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 3-amino-N-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazine-2-carboxamide
PubChem CID118573154
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name3-amino-N-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazine-2-carboxamide
SMILESCC(NC(=O)c1nccnc1N)c1cc2ccccn2c1-c1ccccn1
InChIInChI=1S/C20H18N6O/c1-13(25-20(27)17-19(21)24-10-9-23-17)15-12-14-6-3-5-11-26(14)18(15)16-7-2-4-8-22-16/h2-13H,1H3,(H2,21,24)(H,25,27)
InChIKeyYJPZNSCHODNLJB-UHFFFAOYSA-N
XLogP2.86
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazine-2-carboxamide (CID 118573154) is 3-amino-N-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazine-2-carboxamide is CC(NC(=O)c1nccnc1N)c1cc2ccccn2c1-c1ccccn1.
What is the InChIKey of 3-amino-N-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is YJPZNSCHODNLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-13(25-20(27)17-19(21)24-10-9-23-17)15-12-14-6-3-5-11-26(14)18(15)16-7-2-4-8-22-16/h2-13H,1H3,(H2,21,24)(H,25,27).
What are the key properties of 3-amino-N-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazine-2-carboxamide?
3-amino-N-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 118573154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).