N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylbutanamide

C16H26N4O2 — CID 91924046

IUPACN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylbutanamide
SMILESCCn1ncc(N2CCC(NC(=O)CC(C)C)CC2)cc1=O
InChIInChI=1S/C16H26N4O2/c1-4-20-16(22)10-14(11-17-20)19-7-5-13(6-8-19)18-15(21)9-12(2)3/h10-13H,4-9H2,1-3H3,(H,18,21)
InChIKeyDMQXNNWTLRDNEJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.39
Rot. Bonds5

About N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylbutanamide

N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylbutanamide (PubChem CID 91924046) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylbutanamide
PubChem CID91924046
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylbutanamide
SMILESCCn1ncc(N2CCC(NC(=O)CC(C)C)CC2)cc1=O
InChIInChI=1S/C16H26N4O2/c1-4-20-16(22)10-14(11-17-20)19-7-5-13(6-8-19)18-15(21)9-12(2)3/h10-13H,4-9H2,1-3H3,(H,18,21)
InChIKeyDMQXNNWTLRDNEJ-UHFFFAOYSA-N
XLogP1.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylbutanamide?
The IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylbutanamide (CID 91924046) is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylbutanamide.
What is the SMILES notation for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylbutanamide?
The canonical SMILES for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylbutanamide is CCn1ncc(N2CCC(NC(=O)CC(C)C)CC2)cc1=O.
What is the InChIKey of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylbutanamide?
The InChIKey is DMQXNNWTLRDNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-20-16(22)10-14(11-17-20)19-7-5-13(6-8-19)18-15(21)9-12(2)3/h10-13H,4-9H2,1-3H3,(H,18,21).
What are the key properties of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylbutanamide?
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylbutanamide has a molecular weight of 306.41 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 91924046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).