3-amino-6-[4-(2-piperidin-1-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide

C23H26N6O2 — CID 10139085

IUPAC3-amino-6-[4-(2-piperidin-1-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(OCCN3CCCCC3)cc2)nc1C(=O)Nc1cccnc1
InChIInChI=1S/C23H26N6O2/c24-22-21(23(30)27-18-5-4-10-25-15-18)28-20(16-26-22)17-6-8-19(9-7-17)31-14-13-29-11-2-1-3-12-29/h4-10,15-16H,1-3,11-14H2,(H2,24,26)(H,27,30)
InChIKeyKOUQYYUELAWJJG-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.24
Rot. Bonds7

About 3-amino-6-[4-(2-piperidin-1-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide

3-amino-6-[4-(2-piperidin-1-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (PubChem CID 10139085) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-amino-6-[4-(2-piperidin-1-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-(2-piperidin-1-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
PubChem CID10139085
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name3-amino-6-[4-(2-piperidin-1-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(OCCN3CCCCC3)cc2)nc1C(=O)Nc1cccnc1
InChIInChI=1S/C23H26N6O2/c24-22-21(23(30)27-18-5-4-10-25-15-18)28-20(16-26-22)17-6-8-19(9-7-17)31-14-13-29-11-2-1-3-12-29/h4-10,15-16H,1-3,11-14H2,(H2,24,26)(H,27,30)
InChIKeyKOUQYYUELAWJJG-UHFFFAOYSA-N
XLogP3.24
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(2-piperidin-1-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-(2-piperidin-1-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (CID 10139085) is 3-amino-6-[4-(2-piperidin-1-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-(2-piperidin-1-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-(2-piperidin-1-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is Nc1ncc(-c2ccc(OCCN3CCCCC3)cc2)nc1C(=O)Nc1cccnc1.
What is the InChIKey of 3-amino-6-[4-(2-piperidin-1-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The InChIKey is KOUQYYUELAWJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c24-22-21(23(30)27-18-5-4-10-25-15-18)28-20(16-26-22)17-6-8-19(9-7-17)31-14-13-29-11-2-1-3-12-29/h4-10,15-16H,1-3,11-14H2,(H2,24,26)(H,27,30).
What are the key properties of 3-amino-6-[4-(2-piperidin-1-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
3-amino-6-[4-(2-piperidin-1-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(2-piperidin-1-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is sourced from PubChem (CID 10139085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).