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

C23H28N8O3 — CID 154625760

IUPAC3-amino-N-[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide
SMILESCOCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC)cnc2N)CC1
InChIInChI=1S/C23H28N8O3/c1-33-14-23(25)7-11-31(12-8-23)16-5-3-10-27-21(16)30-22(32)19-20(24)28-13-15(29-19)18-17(34-2)6-4-9-26-18/h3-6,9-10,13H,7-8,11-12,14,25H2,1-2H3,(H2,24,28)(H,27,30,32)
InChIKeyJZNHPVSYBXJLKB-UHFFFAOYSA-N
MW464.53 g/mol
LogP1.72
Rot. Bonds7

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

3-amino-N-[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide (PubChem CID 154625760) has the molecular formula C23H28N8O3 and a molecular weight of 464.53 g/mol. Its IUPAC name is 3-amino-N-[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide
PubChem CID154625760
Molecular FormulaC23H28N8O3
Molecular Weight464.53 g/mol
Exact Mass464.23
IUPAC Name3-amino-N-[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide
SMILESCOCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC)cnc2N)CC1
InChIInChI=1S/C23H28N8O3/c1-33-14-23(25)7-11-31(12-8-23)16-5-3-10-27-21(16)30-22(32)19-20(24)28-13-15(29-19)18-17(34-2)6-4-9-26-18/h3-6,9-10,13H,7-8,11-12,14,25H2,1-2H3,(H2,24,28)(H,27,30,32)
InChIKeyJZNHPVSYBXJLKB-UHFFFAOYSA-N
XLogP1.72
TPSA154.40 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 51.72
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-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide (CID 154625760) is 3-amino-N-[3-[4-amino-4-(methoxymethyl)piperidin-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-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide is COCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC)cnc2N)CC1.
What is the InChIKey of 3-amino-N-[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is JZNHPVSYBXJLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O3/c1-33-14-23(25)7-11-31(12-8-23)16-5-3-10-27-21(16)30-22(32)19-20(24)28-13-15(29-19)18-17(34-2)6-4-9-26-18/h3-6,9-10,13H,7-8,11-12,14,25H2,1-2H3,(H2,24,28)(H,27,30,32).
What are the key properties of 3-amino-N-[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide?
3-amino-N-[3-[4-amino-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 1.72, 7 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-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-methoxy-2-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 154625760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).