2-hydroxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide

C12H18N4O3 — CID 70731807

IUPAC2-hydroxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
SMILESCn1ncc(N2CCC(CNC(=O)CO)C2)cc1=O
InChIInChI=1S/C12H18N4O3/c1-15-12(19)4-10(6-14-15)16-3-2-9(7-16)5-13-11(18)8-17/h4,6,9,17H,2-3,5,7-8H2,1H3,(H,13,18)
InChIKeyCYYFSFNFDNDWIL-UHFFFAOYSA-N
MW266.30 g/mol
LogP-1.28
Rot. Bonds4

About 2-hydroxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide

2-hydroxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 70731807) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-hydroxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID70731807
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-hydroxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
SMILESCn1ncc(N2CCC(CNC(=O)CO)C2)cc1=O
InChIInChI=1S/C12H18N4O3/c1-15-12(19)4-10(6-14-15)16-3-2-9(7-16)5-13-11(18)8-17/h4,6,9,17H,2-3,5,7-8H2,1H3,(H,13,18)
InChIKeyCYYFSFNFDNDWIL-UHFFFAOYSA-N
XLogP-1.28
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-hydroxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide (CID 70731807) is 2-hydroxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide is Cn1ncc(N2CCC(CNC(=O)CO)C2)cc1=O.
What is the InChIKey of 2-hydroxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is CYYFSFNFDNDWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-15-12(19)4-10(6-14-15)16-3-2-9(7-16)5-13-11(18)8-17/h4,6,9,17H,2-3,5,7-8H2,1H3,(H,13,18).
What are the key properties of 2-hydroxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
2-hydroxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 266.30 g/mol, XLogP of -1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 70731807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).