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

C16H26N4O3 — CID 56913727

IUPAC3-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide
SMILESCC(C)CC(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1
InChIInChI=1S/C16H26N4O3/c1-12(2)8-15(21)17-5-4-14-11-20(6-7-23-14)13-9-16(22)19(3)18-10-13/h9-10,12,14H,4-8,11H2,1-3H3,(H,17,21)
InChIKeyKNCXCRCTZMEEMJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.54
Rot. Bonds6

About 3-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide

3-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide (PubChem CID 56913727) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide
PubChem CID56913727
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name3-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide
SMILESCC(C)CC(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1
InChIInChI=1S/C16H26N4O3/c1-12(2)8-15(21)17-5-4-14-11-20(6-7-23-14)13-9-16(22)19(3)18-10-13/h9-10,12,14H,4-8,11H2,1-3H3,(H,17,21)
InChIKeyKNCXCRCTZMEEMJ-UHFFFAOYSA-N
XLogP0.54
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide (CID 56913727) is 3-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide is CC(C)CC(=O)NCCC1CN(c2cnn(C)c(=O)c2)CCO1.
What is the InChIKey of 3-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide?
The InChIKey is KNCXCRCTZMEEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-12(2)8-15(21)17-5-4-14-11-20(6-7-23-14)13-9-16(22)19(3)18-10-13/h9-10,12,14H,4-8,11H2,1-3H3,(H,17,21).
What are the key properties of 3-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide?
3-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide has a molecular weight of 322.41 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide is sourced from PubChem (CID 56913727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).