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

C25H29N9O2 — CID 118873292

IUPAC3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-propan-2-yloxy-2-pyridinyl)pyrazine-2-carboxamide
SMILESCC(C)Oc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1C#N
InChIInChI=1S/C25H29N9O2/c1-15(2)36-19-6-10-29-20(16(19)13-26)17-14-31-22(27)21(32-17)24(35)33-23-18(5-4-9-30-23)34-11-7-25(3,28)8-12-34/h4-6,9-10,14-15H,7-8,11-12,28H2,1-3H3,(H2,27,31)(H,30,33,35)
InChIKeyTVJVIPXZACZIIC-UHFFFAOYSA-N
MW487.57 g/mol
LogP2.74
Rot. Bonds6

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

3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-propan-2-yloxy-2-pyridinyl)pyrazine-2-carboxamide (PubChem CID 118873292) has the molecular formula C25H29N9O2 and a molecular weight of 487.57 g/mol. Its IUPAC name is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-propan-2-yloxy-2-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-propan-2-yloxy-2-pyridinyl)pyrazine-2-carboxamide
PubChem CID118873292
Molecular FormulaC25H29N9O2
Molecular Weight487.57 g/mol
Exact Mass487.24
IUPAC Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-propan-2-yloxy-2-pyridinyl)pyrazine-2-carboxamide
SMILESCC(C)Oc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)c1C#N
InChIInChI=1S/C25H29N9O2/c1-15(2)36-19-6-10-29-20(16(19)13-26)17-14-31-22(27)21(32-17)24(35)33-23-18(5-4-9-30-23)34-11-7-25(3,28)8-12-34/h4-6,9-10,14-15H,7-8,11-12,28H2,1-3H3,(H2,27,31)(H,30,33,35)
InChIKeyTVJVIPXZACZIIC-UHFFFAOYSA-N
XLogP2.74
TPSA168.96 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 52.74
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-propan-2-yloxy-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-propan-2-yloxy-2-pyridinyl)pyrazine-2-carboxamide (CID 118873292) is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-propan-2-yloxy-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-propan-2-yloxy-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-propan-2-yloxy-2-pyridinyl)pyrazine-2-carboxamide is CC(C)Oc1ccnc(-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-propan-2-yloxy-2-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is TVJVIPXZACZIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O2/c1-15(2)36-19-6-10-29-20(16(19)13-26)17-14-31-22(27)21(32-17)24(35)33-23-18(5-4-9-30-23)34-11-7-25(3,28)8-12-34/h4-6,9-10,14-15H,7-8,11-12,28H2,1-3H3,(H2,27,31)(H,30,33,35).
What are the key properties of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-propan-2-yloxy-2-pyridinyl)pyrazine-2-carboxamide?
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-propan-2-yloxy-2-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 487.57 g/mol, XLogP of 2.74, 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-propan-2-yloxy-2-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 118873292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).