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

C19H23N5O2 — CID 90882621

IUPAC4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile
SMILESCOCC(C1CC1)n1cc(C#N)nc(Nc2cc(C)c(C)nc2C)c1=O
InChIInChI=1S/C19H23N5O2/c1-11-7-16(13(3)21-12(11)2)23-18-19(25)24(9-15(8-20)22-18)17(10-26-4)14-5-6-14/h7,9,14,17H,5-6,10H2,1-4H3,(H,22,23)
InChIKeyQRGLICIRGBJRKP-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.78
Rot. Bonds6

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

4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile (PubChem CID 90882621) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile
PubChem CID90882621
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile
SMILESCOCC(C1CC1)n1cc(C#N)nc(Nc2cc(C)c(C)nc2C)c1=O
InChIInChI=1S/C19H23N5O2/c1-11-7-16(13(3)21-12(11)2)23-18-19(25)24(9-15(8-20)22-18)17(10-26-4)14-5-6-14/h7,9,14,17H,5-6,10H2,1-4H3,(H,22,23)
InChIKeyQRGLICIRGBJRKP-UHFFFAOYSA-N
XLogP2.78
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile (CID 90882621) is 4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile is COCC(C1CC1)n1cc(C#N)nc(Nc2cc(C)c(C)nc2C)c1=O.
What is the InChIKey of 4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile?
The InChIKey is QRGLICIRGBJRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-11-7-16(13(3)21-12(11)2)23-18-19(25)24(9-15(8-20)22-18)17(10-26-4)14-5-6-14/h7,9,14,17H,5-6,10H2,1-4H3,(H,22,23).
What are the key properties of 4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile?
4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile has a molecular weight of 353.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 90882621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).