3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide

C23H27FN8O2 — CID 118873311

IUPAC3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide
SMILESCCOc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1F
InChIInChI=1S/C23H27FN8O2/c1-3-34-16-6-10-27-18(17(16)24)14-13-29-20(25)19(30-14)22(33)31-21-15(5-4-9-28-21)32-11-7-23(2,26)8-12-32/h4-6,9-10,13H,3,7-8,11-12,26H2,1-2H3,(H2,25,29)(H,28,31,33)
InChIKeyGAOWZWXUASHKMF-UHFFFAOYSA-N
MW466.52 g/mol
LogP2.62
Rot. Bonds6

About 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide

3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide (PubChem CID 118873311) has the molecular formula C23H27FN8O2 and a molecular weight of 466.52 g/mol. Its IUPAC name is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide
PubChem CID118873311
Molecular FormulaC23H27FN8O2
Molecular Weight466.52 g/mol
Exact Mass466.22
IUPAC Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide
SMILESCCOc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1F
InChIInChI=1S/C23H27FN8O2/c1-3-34-16-6-10-27-18(17(16)24)14-13-29-20(25)19(30-14)22(33)31-21-15(5-4-9-28-21)32-11-7-23(2,26)8-12-32/h4-6,9-10,13H,3,7-8,11-12,26H2,1-2H3,(H2,25,29)(H,28,31,33)
InChIKeyGAOWZWXUASHKMF-UHFFFAOYSA-N
XLogP2.62
TPSA145.17 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide (CID 118873311) is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide is CCOc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1F.
What is the InChIKey of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is GAOWZWXUASHKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN8O2/c1-3-34-16-6-10-27-18(17(16)24)14-13-29-20(25)19(30-14)22(33)31-21-15(5-4-9-28-21)32-11-7-23(2,26)8-12-32/h4-6,9-10,13H,3,7-8,11-12,26H2,1-2H3,(H2,25,29)(H,28,31,33).
What are the key properties of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide?
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 466.52 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(4-ethoxy-3-fluoro-2-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 118873311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).