3-amino-6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide

C22H25N7O2 — CID 10139154

IUPAC3-amino-6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESCN(C)CCN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1
InChIInChI=1S/C22H25N7O2/c1-28(2)11-12-29(3)22(31)16-8-6-15(7-9-16)18-14-25-20(23)19(27-18)21(30)26-17-5-4-10-24-13-17/h4-10,13-14H,11-12H2,1-3H3,(H2,23,25)(H,26,30)
InChIKeyWNXJKXGLIYBQQZ-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.01
Rot. Bonds7

About 3-amino-6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide

3-amino-6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (PubChem CID 10139154) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 3-amino-6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
PubChem CID10139154
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name3-amino-6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESCN(C)CCN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1
InChIInChI=1S/C22H25N7O2/c1-28(2)11-12-29(3)22(31)16-8-6-15(7-9-16)18-14-25-20(23)19(27-18)21(30)26-17-5-4-10-24-13-17/h4-10,13-14H,11-12H2,1-3H3,(H2,23,25)(H,26,30)
InChIKeyWNXJKXGLIYBQQZ-UHFFFAOYSA-N
XLogP2.01
TPSA117.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.01
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-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (CID 10139154) is 3-amino-6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is CN(C)CCN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1.
What is the InChIKey of 3-amino-6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The InChIKey is WNXJKXGLIYBQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-28(2)11-12-29(3)22(31)16-8-6-15(7-9-16)18-14-25-20(23)19(27-18)21(30)26-17-5-4-10-24-13-17/h4-10,13-14H,11-12H2,1-3H3,(H2,23,25)(H,26,30).
What are the key properties of 3-amino-6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
3-amino-6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.01, 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-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is sourced from PubChem (CID 10139154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).