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

C17H28N4O3 — CID 56903778

IUPAC4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide
SMILESCC(C)CCC(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1
InChIInChI=1S/C17H28N4O3/c1-13(2)4-5-16(22)18-7-6-15-12-21(8-9-24-15)14-10-17(23)20(3)19-11-14/h10-11,13,15H,4-9,12H2,1-3H3,(H,18,22)
InChIKeyMWTDEPCBPBLFRQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.93
Rot. Bonds7

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

4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide (PubChem CID 56903778) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide
PubChem CID56903778
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide
SMILESCC(C)CCC(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1
InChIInChI=1S/C17H28N4O3/c1-13(2)4-5-16(22)18-7-6-15-12-21(8-9-24-15)14-10-17(23)20(3)19-11-14/h10-11,13,15H,4-9,12H2,1-3H3,(H,18,22)
InChIKeyMWTDEPCBPBLFRQ-UHFFFAOYSA-N
XLogP0.93
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide?
The IUPAC name of 4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide (CID 56903778) is 4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide.
What is the SMILES notation for 4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide?
The canonical SMILES for 4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide is CC(C)CCC(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1.
What is the InChIKey of 4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide?
The InChIKey is MWTDEPCBPBLFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-13(2)4-5-16(22)18-7-6-15-12-21(8-9-24-15)14-10-17(23)20(3)19-11-14/h10-11,13,15H,4-9,12H2,1-3H3,(H,18,22).
What are the key properties of 4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide?
4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide has a molecular weight of 336.44 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]pentanamide is sourced from PubChem (CID 56903778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).