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

C22H23N9O — CID 118873210

IUPAC3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide
SMILESCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C#N)cnc2N)CC1
InChIInChI=1S/C22H23N9O/c1-22(25)6-10-31(11-7-22)16-5-3-9-27-20(16)30-21(32)18-19(24)28-13-15(29-18)17-14(12-23)4-2-8-26-17/h2-5,8-9,13H,6-7,10-11,25H2,1H3,(H2,24,28)(H,27,30,32)
InChIKeyNQESDTBKBPAEPS-UHFFFAOYSA-N
MW429.49 g/mol
LogP1.96
Rot. Bonds4

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

3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide (PubChem CID 118873210) has the molecular formula C22H23N9O and a molecular weight of 429.49 g/mol. Its IUPAC name is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide
PubChem CID118873210
Molecular FormulaC22H23N9O
Molecular Weight429.49 g/mol
Exact Mass429.20
IUPAC Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide
SMILESCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C#N)cnc2N)CC1
InChIInChI=1S/C22H23N9O/c1-22(25)6-10-31(11-7-22)16-5-3-9-27-20(16)30-21(32)18-19(24)28-13-15(29-18)17-14(12-23)4-2-8-26-17/h2-5,8-9,13H,6-7,10-11,25H2,1H3,(H2,24,28)(H,27,30,32)
InChIKeyNQESDTBKBPAEPS-UHFFFAOYSA-N
XLogP1.96
TPSA159.73 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 51.96
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-cyano-2-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide (CID 118873210) is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-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-2-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide is CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3C#N)cnc2N)CC1.
What is the InChIKey of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is NQESDTBKBPAEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9O/c1-22(25)6-10-31(11-7-22)16-5-3-9-27-20(16)30-21(32)18-19(24)28-13-15(29-18)17-14(12-23)4-2-8-26-17/h2-5,8-9,13H,6-7,10-11,25H2,1H3,(H2,24,28)(H,27,30,32).
What are the key properties of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide?
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-2-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 429.49 g/mol, XLogP of 1.96, 4 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-cyano-2-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 118873210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).