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

C21H19N7O4 — CID 146386422

IUPAC3-amino-N-[[3-(hydroxymethyl)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3ncccc3CO)c(N)nc2-c2ncco2)ccc1=O
InChIInChI=1S/C21H19N7O4/c1-28-10-12(4-5-15(28)30)16-17(21-24-7-8-32-21)27-19(22)18(26-16)20(31)25-9-14-13(11-29)3-2-6-23-14/h2-8,10,29H,9,11H2,1H3,(H2,22,27)(H,25,31)
InChIKeyCBZBLTQMVWBHON-UHFFFAOYSA-N
MW433.43 g/mol
LogP0.90
Rot. Bonds6

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

3-amino-N-[[3-(hydroxymethyl)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 146386422) has the molecular formula C21H19N7O4 and a molecular weight of 433.43 g/mol. Its IUPAC name is 3-amino-N-[[3-(hydroxymethyl)-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-[[3-(hydroxymethyl)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID146386422
Molecular FormulaC21H19N7O4
Molecular Weight433.43 g/mol
Exact Mass433.15
IUPAC Name3-amino-N-[[3-(hydroxymethyl)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3ncccc3CO)c(N)nc2-c2ncco2)ccc1=O
InChIInChI=1S/C21H19N7O4/c1-28-10-12(4-5-15(28)30)16-17(21-24-7-8-32-21)27-19(22)18(26-16)20(31)25-9-14-13(11-29)3-2-6-23-14/h2-8,10,29H,9,11H2,1H3,(H2,22,27)(H,25,31)
InChIKeyCBZBLTQMVWBHON-UHFFFAOYSA-N
XLogP0.90
TPSA162.05 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-(hydroxymethyl)-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-[[3-(hydroxymethyl)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 146386422) is 3-amino-N-[[3-(hydroxymethyl)-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-[[3-(hydroxymethyl)-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-[[3-(hydroxymethyl)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cn1cc(-c2nc(C(=O)NCc3ncccc3CO)c(N)nc2-c2ncco2)ccc1=O.
What is the InChIKey of 3-amino-N-[[3-(hydroxymethyl)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is CBZBLTQMVWBHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O4/c1-28-10-12(4-5-15(28)30)16-17(21-24-7-8-32-21)27-19(22)18(26-16)20(31)25-9-14-13(11-29)3-2-6-23-14/h2-8,10,29H,9,11H2,1H3,(H2,22,27)(H,25,31).
What are the key properties of 3-amino-N-[[3-(hydroxymethyl)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[[3-(hydroxymethyl)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 433.43 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-(hydroxymethyl)-2-pyridinyl]methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 146386422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).