3-amino-6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide

C22H32N6O2 — CID 68651617

About 3-amino-6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide

3-amino-6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide (PubChem CID 68651617) has the molecular formula C22H32N6O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 3-amino-6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
• PubChem CID: 68651617
• Molecular Formula: C22H32N6O2
• Molecular Weight: 412.54 g/mol
• Exact Mass: 412.26
• IUPAC Name: 3-amino-6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
• SMILES: CCN(CC)CCOc1cccc(-c2cnc(N)c(C(=O)N[C@H]3CCCNC3)n2)c1
• InChI: InChI=1S/C22H32N6O2/c1-3-28(4-2)11-12-30-18-9-5-7-16(13-18)19-15-25-21(23)20(27-19)22(29)26-17-8-6-10-24-14-17/h5,7,9,13,15,17,24H,3-4,6,8,10-12,14H2,1-2H3,(H2,23,25)(H,26,29)/t17-/m0/s1
• InChIKey: IDHJWBFCMGWYQN-KRWDZBQOSA-N
• XLogP: 1.93
• TPSA: 105.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.54
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?

The IUPAC name of 3-amino-6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide (CID 68651617) is 3-amino-6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide is CCN(CC)CCOc1cccc(-c2cnc(N)c(C(=O)N[C@H]3CCCNC3)n2)c1.

What is the InChIKey of 3-amino-6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?

The InChIKey is IDHJWBFCMGWYQN-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H32N6O2/c1-3-28(4-2)11-12-30-18-9-5-7-16(13-18)19-15-25-21(23)20(27-19)22(29)26-17-8-6-10-24-14-17/h5,7,9,13,15,17,24H,3-4,6,8,10-12,14H2,1-2H3,(H2,23,25)(H,26,29)/t17-/m0/s1.

What are the key properties of 3-amino-6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?

3-amino-6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 1.93, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 68651617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).