3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide

C22H24N6O3 — CID 118988613

IUPAC3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(CCO)cc2)nc1C(=O)Nc1cnccc1N1CCOCC1
InChIInChI=1S/C22H24N6O3/c23-21-20(26-17(14-25-21)16-3-1-15(2-4-16)6-10-29)22(30)27-18-13-24-7-5-19(18)28-8-11-31-12-9-28/h1-5,7,13-14,29H,6,8-12H2,(H2,23,25)(H,27,30)
InChIKeyUEECNVFACUZGKV-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.74
Rot. Bonds6

About 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide

3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide (PubChem CID 118988613) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
PubChem CID118988613
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(CCO)cc2)nc1C(=O)Nc1cnccc1N1CCOCC1
InChIInChI=1S/C22H24N6O3/c23-21-20(26-17(14-25-21)16-3-1-15(2-4-16)6-10-29)22(30)27-18-13-24-7-5-19(18)28-8-11-31-12-9-28/h1-5,7,13-14,29H,6,8-12H2,(H2,23,25)(H,27,30)
InChIKeyUEECNVFACUZGKV-UHFFFAOYSA-N
XLogP1.74
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide (CID 118988613) is 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide is Nc1ncc(-c2ccc(CCO)cc2)nc1C(=O)Nc1cnccc1N1CCOCC1.
What is the InChIKey of 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is UEECNVFACUZGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c23-21-20(26-17(14-25-21)16-3-1-15(2-4-16)6-10-29)22(30)27-18-13-24-7-5-19(18)28-8-11-31-12-9-28/h1-5,7,13-14,29H,6,8-12H2,(H2,23,25)(H,27,30).
What are the key properties of 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide?
3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 118988613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).