5-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one

C18H21N7O2 — CID 121064999

IUPAC5-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)N1
InChIInChI=1S/C18H21N7O2/c26-17-7-4-13(20-17)18(27)25-11-9-24(10-12-25)16-6-5-15(22-23-16)21-14-3-1-2-8-19-14/h1-3,5-6,8,13H,4,7,9-12H2,(H,20,26)(H,19,21,22)
InChIKeyTXWSEWFAUXBFSY-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.54
Rot. Bonds4

About 5-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one

5-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 121064999) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID121064999
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name5-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)N1
InChIInChI=1S/C18H21N7O2/c26-17-7-4-13(20-17)18(27)25-11-9-24(10-12-25)16-6-5-15(22-23-16)21-14-3-1-2-8-19-14/h1-3,5-6,8,13H,4,7,9-12H2,(H,20,26)(H,19,21,22)
InChIKeyTXWSEWFAUXBFSY-UHFFFAOYSA-N
XLogP0.54
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 121064759
oxolan-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347425
pyridin-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347312
2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 56699859
(5-methylpyrazin-2-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347475
(2S)-5-oxo-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 95133563
3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 56699361
N-(4-methoxyphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 47001201
2-(4-chlorophenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 42111861
N-(3,5-dimethylphenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 47001350
N-(3,5-difluorophenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 56700221
[2-(difluoromethylsulfonyl)phenyl]-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347414

Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 121064999) is 5-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one is O=C1CCC(C(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)N1.
What is the InChIKey of 5-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is TXWSEWFAUXBFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c26-17-7-4-13(20-17)18(27)25-11-9-24(10-12-25)16-6-5-15(22-23-16)21-14-3-1-2-8-19-14/h1-3,5-6,8,13H,4,7,9-12H2,(H,20,26)(H,19,21,22).
What are the key properties of 5-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one?
5-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 367.41 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 121064999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).