N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide

C16H26N4O3 — CID 56901199

IUPACN-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide
SMILESCCCCC(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1
InChIInChI=1S/C16H26N4O3/c1-3-4-5-15(21)17-7-6-14-12-20(8-9-23-14)13-10-16(22)19(2)18-11-13/h10-11,14H,3-9,12H2,1-2H3,(H,17,21)
InChIKeyPCGSIKCUUHSXTR-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.68
Rot. Bonds7

About N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide

N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide (PubChem CID 56901199) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide
PubChem CID56901199
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide
SMILESCCCCC(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1
InChIInChI=1S/C16H26N4O3/c1-3-4-5-15(21)17-7-6-14-12-20(8-9-23-14)13-10-16(22)19(2)18-11-13/h10-11,14H,3-9,12H2,1-2H3,(H,17,21)
InChIKeyPCGSIKCUUHSXTR-UHFFFAOYSA-N
XLogP0.68
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide?
The IUPAC name of N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide (CID 56901199) is N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide.
What is the SMILES notation for N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide?
The canonical SMILES for N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide is CCCCC(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1.
What is the InChIKey of N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide?
The InChIKey is PCGSIKCUUHSXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-3-4-5-15(21)17-7-6-14-12-20(8-9-23-14)13-10-16(22)19(2)18-11-13/h10-11,14H,3-9,12H2,1-2H3,(H,17,21).
What are the key properties of N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide?
N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide has a molecular weight of 322.41 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide is sourced from PubChem (CID 56901199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).