3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide

C24H26N8O — CID 118875816

IUPAC3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide
SMILESCc1cc2c(-c3cnc(N)c(C(=O)Nc4ncccc4N4CCC(N)CC4)n3)cccc2[nH]1
InChIInChI=1S/C24H26N8O/c1-14-12-17-16(4-2-5-18(17)29-14)19-13-28-22(26)21(30-19)24(33)31-23-20(6-3-9-27-23)32-10-7-15(25)8-11-32/h2-6,9,12-13,15,29H,7-8,10-11,25H2,1H3,(H2,26,28)(H,27,31,33)
InChIKeyAODINEOJAWVRMB-UHFFFAOYSA-N
MW442.53 g/mol
LogP3.09
Rot. Bonds4

About 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide

3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide (PubChem CID 118875816) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide
PubChem CID118875816
Molecular FormulaC24H26N8O
Molecular Weight442.53 g/mol
Exact Mass442.22
IUPAC Name3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide
SMILESCc1cc2c(-c3cnc(N)c(C(=O)Nc4ncccc4N4CCC(N)CC4)n3)cccc2[nH]1
InChIInChI=1S/C24H26N8O/c1-14-12-17-16(4-2-5-18(17)29-14)19-13-28-22(26)21(30-19)24(33)31-23-20(6-3-9-27-23)32-10-7-15(25)8-11-32/h2-6,9,12-13,15,29H,7-8,10-11,25H2,1H3,(H2,26,28)(H,27,31,33)
InChIKeyAODINEOJAWVRMB-UHFFFAOYSA-N
XLogP3.09
TPSA138.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide (CID 118875816) is 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide is Cc1cc2c(-c3cnc(N)c(C(=O)Nc4ncccc4N4CCC(N)CC4)n3)cccc2[nH]1.
What is the InChIKey of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide?
The InChIKey is AODINEOJAWVRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O/c1-14-12-17-16(4-2-5-18(17)29-14)19-13-28-22(26)21(30-19)24(33)31-23-20(6-3-9-27-23)32-10-7-15(25)8-11-32/h2-6,9,12-13,15,29H,7-8,10-11,25H2,1H3,(H2,26,28)(H,27,31,33).
What are the key properties of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide?
3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide has a molecular weight of 442.53 g/mol, XLogP of 3.09, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(2-methyl-1H-indol-4-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 118875816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).