4-methyl-1-[6-[(6-pyridin-2-ylpyrazin-2-yl)amino]-3-pyridinyl]piperazin-2-one

C19H19N7O — CID 68522866

IUPAC4-methyl-1-[6-[(6-pyridin-2-ylpyrazin-2-yl)amino]-3-pyridinyl]piperazin-2-one
SMILESCN1CCN(c2ccc(Nc3cncc(-c4ccccn4)n3)nc2)C(=O)C1
InChIInChI=1S/C19H19N7O/c1-25-8-9-26(19(27)13-25)14-5-6-17(22-10-14)24-18-12-20-11-16(23-18)15-4-2-3-7-21-15/h2-7,10-12H,8-9,13H2,1H3,(H,22,23,24)
InChIKeyDGHCIKWTTIBVRY-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.96
Rot. Bonds4

About 4-methyl-1-[6-[(6-pyridin-2-ylpyrazin-2-yl)amino]-3-pyridinyl]piperazin-2-one

4-methyl-1-[6-[(6-pyridin-2-ylpyrazin-2-yl)amino]-3-pyridinyl]piperazin-2-one (PubChem CID 68522866) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-methyl-1-[6-[(6-pyridin-2-ylpyrazin-2-yl)amino]-3-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-methyl-1-[6-[(6-pyridin-2-ylpyrazin-2-yl)amino]-3-pyridinyl]piperazin-2-one
PubChem CID68522866
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name4-methyl-1-[6-[(6-pyridin-2-ylpyrazin-2-yl)amino]-3-pyridinyl]piperazin-2-one
SMILESCN1CCN(c2ccc(Nc3cncc(-c4ccccn4)n3)nc2)C(=O)C1
InChIInChI=1S/C19H19N7O/c1-25-8-9-26(19(27)13-25)14-5-6-17(22-10-14)24-18-12-20-11-16(23-18)15-4-2-3-7-21-15/h2-7,10-12H,8-9,13H2,1H3,(H,22,23,24)
InChIKeyDGHCIKWTTIBVRY-UHFFFAOYSA-N
XLogP1.96
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[6-[(6-pyridin-2-ylpyrazin-2-yl)amino]-3-pyridinyl]piperazin-2-one?
The IUPAC name of 4-methyl-1-[6-[(6-pyridin-2-ylpyrazin-2-yl)amino]-3-pyridinyl]piperazin-2-one (CID 68522866) is 4-methyl-1-[6-[(6-pyridin-2-ylpyrazin-2-yl)amino]-3-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-methyl-1-[6-[(6-pyridin-2-ylpyrazin-2-yl)amino]-3-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-methyl-1-[6-[(6-pyridin-2-ylpyrazin-2-yl)amino]-3-pyridinyl]piperazin-2-one is CN1CCN(c2ccc(Nc3cncc(-c4ccccn4)n3)nc2)C(=O)C1.
What is the InChIKey of 4-methyl-1-[6-[(6-pyridin-2-ylpyrazin-2-yl)amino]-3-pyridinyl]piperazin-2-one?
The InChIKey is DGHCIKWTTIBVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-25-8-9-26(19(27)13-25)14-5-6-17(22-10-14)24-18-12-20-11-16(23-18)15-4-2-3-7-21-15/h2-7,10-12H,8-9,13H2,1H3,(H,22,23,24).
What are the key properties of 4-methyl-1-[6-[(6-pyridin-2-ylpyrazin-2-yl)amino]-3-pyridinyl]piperazin-2-one?
4-methyl-1-[6-[(6-pyridin-2-ylpyrazin-2-yl)amino]-3-pyridinyl]piperazin-2-one has a molecular weight of 361.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[6-[(6-pyridin-2-ylpyrazin-2-yl)amino]-3-pyridinyl]piperazin-2-one is sourced from PubChem (CID 68522866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).