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

C24H27N9O2 — CID 118873195

IUPAC3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-ethoxy-2-pyridinyl)pyrazine-2-carboxamide
SMILESCCOc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1C#N
InChIInChI=1S/C24H27N9O2/c1-3-35-18-6-10-28-19(15(18)13-25)16-14-30-21(26)20(31-16)23(34)32-22-17(5-4-9-29-22)33-11-7-24(2,27)8-12-33/h4-6,9-10,14H,3,7-8,11-12,27H2,1-2H3,(H2,26,30)(H,29,32,34)
InChIKeyJUFIOUVSLDZPAJ-UHFFFAOYSA-N
MW473.54 g/mol
LogP2.36
Rot. Bonds6

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

3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-ethoxy-2-pyridinyl)pyrazine-2-carboxamide (PubChem CID 118873195) has the molecular formula C24H27N9O2 and a molecular weight of 473.54 g/mol. Its IUPAC name is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-ethoxy-2-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-ethoxy-2-pyridinyl)pyrazine-2-carboxamide
PubChem CID118873195
Molecular FormulaC24H27N9O2
Molecular Weight473.54 g/mol
Exact Mass473.23
IUPAC Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-ethoxy-2-pyridinyl)pyrazine-2-carboxamide
SMILESCCOc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1C#N
InChIInChI=1S/C24H27N9O2/c1-3-35-18-6-10-28-19(15(18)13-25)16-14-30-21(26)20(31-16)23(34)32-22-17(5-4-9-29-22)33-11-7-24(2,27)8-12-33/h4-6,9-10,14H,3,7-8,11-12,27H2,1-2H3,(H2,26,30)(H,29,32,34)
InChIKeyJUFIOUVSLDZPAJ-UHFFFAOYSA-N
XLogP2.36
TPSA168.96 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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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-(3-cyano-4-ethoxy-2-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-ethoxy-2-pyridinyl)pyrazine-2-carboxamide (CID 118873195) is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-ethoxy-2-pyridinyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-ethoxy-2-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-ethoxy-2-pyridinyl)pyrazine-2-carboxamide is CCOc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1C#N.
What is the InChIKey of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-ethoxy-2-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is JUFIOUVSLDZPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9O2/c1-3-35-18-6-10-28-19(15(18)13-25)16-14-30-21(26)20(31-16)23(34)32-22-17(5-4-9-29-22)33-11-7-24(2,27)8-12-33/h4-6,9-10,14H,3,7-8,11-12,27H2,1-2H3,(H2,26,30)(H,29,32,34).
What are the key properties of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-ethoxy-2-pyridinyl)pyrazine-2-carboxamide?
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-ethoxy-2-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 10 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-(3-cyano-4-ethoxy-2-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 118873195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).