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

C24H24N8O3 — CID 146380582

IUPAC3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3cccc(N4CCCC4)n3)c(N)nc2-c2ncco2)ccc1=O
InChIInChI=1S/C24H24N8O3/c1-31-14-15(7-8-18(31)33)19-20(24-26-9-12-35-24)30-22(25)21(29-19)23(34)27-13-16-5-4-6-17(28-16)32-10-2-3-11-32/h4-9,12,14H,2-3,10-11,13H2,1H3,(H2,25,30)(H,27,34)
InChIKeyOQNNWINZKWOANA-UHFFFAOYSA-N
MW472.51 g/mol
LogP2.00
Rot. Bonds6

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

3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]pyrazine-2-carboxamide (PubChem CID 146380582) has the molecular formula C24H24N8O3 and a molecular weight of 472.51 g/mol. Its IUPAC name is 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]pyrazine-2-carboxamide
PubChem CID146380582
Molecular FormulaC24H24N8O3
Molecular Weight472.51 g/mol
Exact Mass472.20
IUPAC Name3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]pyrazine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3cccc(N4CCCC4)n3)c(N)nc2-c2ncco2)ccc1=O
InChIInChI=1S/C24H24N8O3/c1-31-14-15(7-8-18(31)33)19-20(24-26-9-12-35-24)30-22(25)21(29-19)23(34)27-13-16-5-4-6-17(28-16)32-10-2-3-11-32/h4-9,12,14H,2-3,10-11,13H2,1H3,(H2,25,30)(H,27,34)
InChIKeyOQNNWINZKWOANA-UHFFFAOYSA-N
XLogP2.00
TPSA145.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]pyrazine-2-carboxamide (CID 146380582) is 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]pyrazine-2-carboxamide is Cn1cc(-c2nc(C(=O)NCc3cccc(N4CCCC4)n3)c(N)nc2-c2ncco2)ccc1=O.
What is the InChIKey of 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]pyrazine-2-carboxamide?
The InChIKey is OQNNWINZKWOANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O3/c1-31-14-15(7-8-18(31)33)19-20(24-26-9-12-35-24)30-22(25)21(29-19)23(34)27-13-16-5-4-6-17(28-16)32-10-2-3-11-32/h4-9,12,14H,2-3,10-11,13H2,1H3,(H2,25,30)(H,27,34).
What are the key properties of 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]pyrazine-2-carboxamide?
3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]pyrazine-2-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[(6-pyrrolidin-1-yl-2-pyridinyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 146380582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).