4-[(1R)-1-cyclopropylpropyl]-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile

C19H23N5O — CID 58337887

IUPAC4-[(1R)-1-cyclopropylpropyl]-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile
SMILESCC[C@H](C1CC1)n1cc(C#N)nc(Nc2cc(C)c(C)nc2C)c1=O
InChIInChI=1S/C19H23N5O/c1-5-17(14-6-7-14)24-10-15(9-20)22-18(19(24)25)23-16-8-11(2)12(3)21-13(16)4/h8,10,14,17H,5-7H2,1-4H3,(H,22,23)/t17-/m1/s1
InChIKeyLPQMEHMFOLEMHE-QGZVFWFLSA-N
MW337.43 g/mol
LogP3.54
Rot. Bonds5

About 4-[(1R)-1-cyclopropylpropyl]-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile

4-[(1R)-1-cyclopropylpropyl]-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile (PubChem CID 58337887) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-[(1R)-1-cyclopropylpropyl]-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name4-[(1R)-1-cyclopropylpropyl]-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile
PubChem CID58337887
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name4-[(1R)-1-cyclopropylpropyl]-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile
SMILESCC[C@H](C1CC1)n1cc(C#N)nc(Nc2cc(C)c(C)nc2C)c1=O
InChIInChI=1S/C19H23N5O/c1-5-17(14-6-7-14)24-10-15(9-20)22-18(19(24)25)23-16-8-11(2)12(3)21-13(16)4/h8,10,14,17H,5-7H2,1-4H3,(H,22,23)/t17-/m1/s1
InChIKeyLPQMEHMFOLEMHE-QGZVFWFLSA-N
XLogP3.54
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(1R)-1-cyclopropylpropyl]-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile 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 4-[(1R)-1-cyclopropylpropyl]-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 4-[(1R)-1-cyclopropylpropyl]-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile (CID 58337887) is 4-[(1R)-1-cyclopropylpropyl]-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 4-[(1R)-1-cyclopropylpropyl]-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 4-[(1R)-1-cyclopropylpropyl]-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile is CC[C@H](C1CC1)n1cc(C#N)nc(Nc2cc(C)c(C)nc2C)c1=O.
What is the InChIKey of 4-[(1R)-1-cyclopropylpropyl]-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile?
The InChIKey is LPQMEHMFOLEMHE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N5O/c1-5-17(14-6-7-14)24-10-15(9-20)22-18(19(24)25)23-16-8-11(2)12(3)21-13(16)4/h8,10,14,17H,5-7H2,1-4H3,(H,22,23)/t17-/m1/s1.
What are the key properties of 4-[(1R)-1-cyclopropylpropyl]-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile?
4-[(1R)-1-cyclopropylpropyl]-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile has a molecular weight of 337.43 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-cyclopropylpropyl]-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 58337887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).