3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide

C25H30N8O2 — CID 118873234

IUPAC3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc(N3CCOCC3)c2)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
InChIInChI=1S/C25H30N8O2/c26-18-6-9-33(10-7-18)21-5-2-8-28-24(21)31-25(34)22-23(27)29-16-20(30-22)17-3-1-4-19(15-17)32-11-13-35-14-12-32/h1-5,8,15-16,18H,6-7,9-14,26H2,(H2,27,29)(H,28,31,34)
InChIKeyYIAUOBNZXMZCFP-UHFFFAOYSA-N
MW474.57 g/mol
LogP2.14
Rot. Bonds5

About 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide

3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide (PubChem CID 118873234) has the molecular formula C25H30N8O2 and a molecular weight of 474.57 g/mol. Its IUPAC name is 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide
PubChem CID118873234
Molecular FormulaC25H30N8O2
Molecular Weight474.57 g/mol
Exact Mass474.25
IUPAC Name3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc(N3CCOCC3)c2)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
InChIInChI=1S/C25H30N8O2/c26-18-6-9-33(10-7-18)21-5-2-8-28-24(21)31-25(34)22-23(27)29-16-20(30-22)17-3-1-4-19(15-17)32-11-13-35-14-12-32/h1-5,8,15-16,18H,6-7,9-14,26H2,(H2,27,29)(H,28,31,34)
InChIKeyYIAUOBNZXMZCFP-UHFFFAOYSA-N
XLogP2.14
TPSA135.52 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 52.14
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-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide (CID 118873234) is 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide is Nc1ncc(-c2cccc(N3CCOCC3)c2)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.
What is the InChIKey of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is YIAUOBNZXMZCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O2/c26-18-6-9-33(10-7-18)21-5-2-8-28-24(21)31-25(34)22-23(27)29-16-20(30-22)17-3-1-4-19(15-17)32-11-13-35-14-12-32/h1-5,8,15-16,18H,6-7,9-14,26H2,(H2,27,29)(H,28,31,34).
What are the key properties of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide?
3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 474.57 g/mol, XLogP of 2.14, 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-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 118873234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).