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

C21H20N8O3 — CID 146380513

IUPAC3-amino-N-[[6-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCNc1cccc(CNC(=O)c2nc(-c3ccc(=O)n(C)c3)c(-c3ncco3)nc2N)n1
InChIInChI=1S/C21H20N8O3/c1-23-14-5-3-4-13(26-14)10-25-20(31)18-19(22)28-17(21-24-8-9-32-21)16(27-18)12-6-7-15(30)29(2)11-12/h3-9,11H,10H2,1-2H3,(H2,22,28)(H,23,26)(H,25,31)
InChIKeyPKBQAGFSMGQXRV-UHFFFAOYSA-N
MW432.44 g/mol
LogP1.45
Rot. Bonds6

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

3-amino-N-[[6-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 146380513) has the molecular formula C21H20N8O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is 3-amino-N-[[6-(methylamino)-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-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID146380513
Molecular FormulaC21H20N8O3
Molecular Weight432.44 g/mol
Exact Mass432.17
IUPAC Name3-amino-N-[[6-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCNc1cccc(CNC(=O)c2nc(-c3ccc(=O)n(C)c3)c(-c3ncco3)nc2N)n1
InChIInChI=1S/C21H20N8O3/c1-23-14-5-3-4-13(26-14)10-25-20(31)18-19(22)28-17(21-24-8-9-32-21)16(27-18)12-6-7-15(30)29(2)11-12/h3-9,11H,10H2,1-2H3,(H2,22,28)(H,23,26)(H,25,31)
InChIKeyPKBQAGFSMGQXRV-UHFFFAOYSA-N
XLogP1.45
TPSA153.85 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[6-(methylamino)-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-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 146380513) is 3-amino-N-[[6-(methylamino)-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-(methylamino)-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-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is CNc1cccc(CNC(=O)c2nc(-c3ccc(=O)n(C)c3)c(-c3ncco3)nc2N)n1.
What is the InChIKey of 3-amino-N-[[6-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is PKBQAGFSMGQXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O3/c1-23-14-5-3-4-13(26-14)10-25-20(31)18-19(22)28-17(21-24-8-9-32-21)16(27-18)12-6-7-15(30)29(2)11-12/h3-9,11H,10H2,1-2H3,(H2,22,28)(H,23,26)(H,25,31).
What are the key properties of 3-amino-N-[[6-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[[6-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 432.44 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[6-(methylamino)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 146380513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).