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

C22H26N8O2 — CID 135177936

IUPAC3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide
SMILESCOc1cccnc1-c1cnc(N)c(C(=O)Nc2ncccc2N2CCC(C)(N)CC2)n1
InChIInChI=1S/C22H26N8O2/c1-22(24)7-11-30(12-8-22)15-5-3-10-26-20(15)29-21(31)18-19(23)27-13-14(28-18)17-16(32-2)6-4-9-25-17/h3-6,9-10,13H,7-8,11-12,24H2,1-2H3,(H2,23,27)(H,26,29,31)
InChIKeyVJDULVHMGAUZFJ-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.09
Rot. Bonds5

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

3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide (PubChem CID 135177936) has the molecular formula C22H26N8O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide
PubChem CID135177936
Molecular FormulaC22H26N8O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide
SMILESCOc1cccnc1-c1cnc(N)c(C(=O)Nc2ncccc2N2CCC(C)(N)CC2)n1
InChIInChI=1S/C22H26N8O2/c1-22(24)7-11-30(12-8-22)15-5-3-10-26-20(15)29-21(31)18-19(23)27-13-14(28-18)17-16(32-2)6-4-9-25-17/h3-6,9-10,13H,7-8,11-12,24H2,1-2H3,(H2,23,27)(H,26,29,31)
InChIKeyVJDULVHMGAUZFJ-UHFFFAOYSA-N
XLogP2.09
TPSA145.17 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.09
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-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide (CID 135177936) is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-methoxy-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-methoxy-2-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide is COc1cccnc1-c1cnc(N)c(C(=O)Nc2ncccc2N2CCC(C)(N)CC2)n1.
What is the InChIKey of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is VJDULVHMGAUZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O2/c1-22(24)7-11-30(12-8-22)15-5-3-10-26-20(15)29-21(31)18-19(23)27-13-14(28-18)17-16(32-2)6-4-9-25-17/h3-6,9-10,13H,7-8,11-12,24H2,1-2H3,(H2,23,27)(H,26,29,31).
What are the key properties of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide?
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.09, 5 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-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 135177936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).