N-(oxan-4-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide

C14H22N4O3 — CID 103219567

IUPACN-(oxan-4-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide
SMILESCC(C)Nc1cnn(CC(=O)NC2CCOCC2)c(=O)c1
InChIInChI=1S/C14H22N4O3/c1-10(2)16-12-7-14(20)18(15-8-12)9-13(19)17-11-3-5-21-6-4-11/h7-8,10-11,16H,3-6,9H2,1-2H3,(H,17,19)
InChIKeyMJHHQLGQZFQZRT-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.36
Rot. Bonds5

About N-(oxan-4-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide

N-(oxan-4-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide (PubChem CID 103219567) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide
PubChem CID103219567
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-(oxan-4-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide
SMILESCC(C)Nc1cnn(CC(=O)NC2CCOCC2)c(=O)c1
InChIInChI=1S/C14H22N4O3/c1-10(2)16-12-7-14(20)18(15-8-12)9-13(19)17-11-3-5-21-6-4-11/h7-8,10-11,16H,3-6,9H2,1-2H3,(H,17,19)
InChIKeyMJHHQLGQZFQZRT-UHFFFAOYSA-N
XLogP0.36
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide?
The IUPAC name of N-(oxan-4-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide (CID 103219567) is N-(oxan-4-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide is CC(C)Nc1cnn(CC(=O)NC2CCOCC2)c(=O)c1.
What is the InChIKey of N-(oxan-4-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide?
The InChIKey is MJHHQLGQZFQZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10(2)16-12-7-14(20)18(15-8-12)9-13(19)17-11-3-5-21-6-4-11/h7-8,10-11,16H,3-6,9H2,1-2H3,(H,17,19).
What are the key properties of N-(oxan-4-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide?
N-(oxan-4-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide has a molecular weight of 294.35 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]acetamide is sourced from PubChem (CID 103219567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).