N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylbutanamide

C17H28N4O3 — CID 91911848

IUPACN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC1CCN(c2cnn(CCOC)c(=O)c2)CC1
InChIInChI=1S/C17H28N4O3/c1-4-13(2)17(23)19-14-5-7-20(8-6-14)15-11-16(22)21(18-12-15)9-10-24-3/h11-14H,4-10H2,1-3H3,(H,19,23)
InChIKeyHFMNXMJSECALJR-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.02
Rot. Bonds7

About N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylbutanamide

N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylbutanamide (PubChem CID 91911848) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylbutanamide
PubChem CID91911848
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC1CCN(c2cnn(CCOC)c(=O)c2)CC1
InChIInChI=1S/C17H28N4O3/c1-4-13(2)17(23)19-14-5-7-20(8-6-14)15-11-16(22)21(18-12-15)9-10-24-3/h11-14H,4-10H2,1-3H3,(H,19,23)
InChIKeyHFMNXMJSECALJR-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylbutanamide?
The IUPAC name of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylbutanamide (CID 91911848) is N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylbutanamide.
What is the SMILES notation for N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylbutanamide?
The canonical SMILES for N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylbutanamide is CCC(C)C(=O)NC1CCN(c2cnn(CCOC)c(=O)c2)CC1.
What is the InChIKey of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylbutanamide?
The InChIKey is HFMNXMJSECALJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-4-13(2)17(23)19-14-5-7-20(8-6-14)15-11-16(22)21(18-12-15)9-10-24-3/h11-14H,4-10H2,1-3H3,(H,19,23).
What are the key properties of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylbutanamide?
N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylbutanamide has a molecular weight of 336.44 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylbutanamide is sourced from PubChem (CID 91911848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).