N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide

C17H21N5O3 — CID 124976103

IUPACN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC[C@]2(O)CCN(c3cnccn3)C2)c(=O)n1C
InChIInChI=1S/C17H21N5O3/c1-12-3-4-13(16(24)21(12)2)15(23)20-10-17(25)5-8-22(11-17)14-9-18-6-7-19-14/h3-4,6-7,9,25H,5,8,10-11H2,1-2H3,(H,20,23)/t17-/m1/s1
InChIKeyLCXZYNAURNEQRJ-QGZVFWFLSA-N
MW343.39 g/mol
LogP-0.15
Rot. Bonds4

About N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide

N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 124976103) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID124976103
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC[C@]2(O)CCN(c3cnccn3)C2)c(=O)n1C
InChIInChI=1S/C17H21N5O3/c1-12-3-4-13(16(24)21(12)2)15(23)20-10-17(25)5-8-22(11-17)14-9-18-6-7-19-14/h3-4,6-7,9,25H,5,8,10-11H2,1-2H3,(H,20,23)/t17-/m1/s1
InChIKeyLCXZYNAURNEQRJ-QGZVFWFLSA-N
XLogP-0.15
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide (CID 124976103) is N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide is Cc1ccc(C(=O)NC[C@]2(O)CCN(c3cnccn3)C2)c(=O)n1C.
What is the InChIKey of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is LCXZYNAURNEQRJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-12-3-4-13(16(24)21(12)2)15(23)20-10-17(25)5-8-22(11-17)14-9-18-6-7-19-14/h3-4,6-7,9,25H,5,8,10-11H2,1-2H3,(H,20,23)/t17-/m1/s1.
What are the key properties of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide?
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 124976103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).