3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

C22H22N8O3 — CID 146386437

IUPAC3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCN(C)c1cccc(CNC(=O)c2nc(-c3ccc(=O)n(C)c3)c(-c3ncco3)nc2N)n1
InChIInChI=1S/C22H22N8O3/c1-29(2)15-6-4-5-14(26-15)11-25-21(32)19-20(23)28-18(22-24-9-10-33-22)17(27-19)13-7-8-16(31)30(3)12-13/h4-10,12H,11H2,1-3H3,(H2,23,28)(H,25,32)
InChIKeyMSOLIVLGQNJTQC-UHFFFAOYSA-N
MW446.47 g/mol
LogP1.47
Rot. Bonds6

About 3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 146386437) has the molecular formula C22H22N8O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is 3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID146386437
Molecular FormulaC22H22N8O3
Molecular Weight446.47 g/mol
Exact Mass446.18
IUPAC Name3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCN(C)c1cccc(CNC(=O)c2nc(-c3ccc(=O)n(C)c3)c(-c3ncco3)nc2N)n1
InChIInChI=1S/C22H22N8O3/c1-29(2)15-6-4-5-14(26-15)11-25-21(32)19-20(23)28-18(22-24-9-10-33-22)17(27-19)13-7-8-16(31)30(3)12-13/h4-10,12H,11H2,1-3H3,(H2,23,28)(H,25,32)
InChIKeyMSOLIVLGQNJTQC-UHFFFAOYSA-N
XLogP1.47
TPSA145.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 146386437) is 3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is CN(C)c1cccc(CNC(=O)c2nc(-c3ccc(=O)n(C)c3)c(-c3ncco3)nc2N)n1.
What is the InChIKey of 3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is MSOLIVLGQNJTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O3/c1-29(2)15-6-4-5-14(26-15)11-25-21(32)19-20(23)28-18(22-24-9-10-33-22)17(27-19)13-7-8-16(31)30(3)12-13/h4-10,12H,11H2,1-3H3,(H2,23,28)(H,25,32).
What are the key properties of 3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 146386437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).