N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide

C17H26N4O2 — CID 91924070

IUPACN-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(c2cnn(CC3CC3)c(=O)c2)CC1
InChIInChI=1S/C17H26N4O2/c1-12(2)17(23)19-14-5-7-20(8-6-14)15-9-16(22)21(18-10-15)11-13-3-4-13/h9-10,12-14H,3-8,11H2,1-2H3,(H,19,23)
InChIKeyZKFOZKRSYOPXAB-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.39
Rot. Bonds5

About N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide

N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide (PubChem CID 91924070) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide
PubChem CID91924070
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(c2cnn(CC3CC3)c(=O)c2)CC1
InChIInChI=1S/C17H26N4O2/c1-12(2)17(23)19-14-5-7-20(8-6-14)15-9-16(22)21(18-10-15)11-13-3-4-13/h9-10,12-14H,3-8,11H2,1-2H3,(H,19,23)
InChIKeyZKFOZKRSYOPXAB-UHFFFAOYSA-N
XLogP1.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
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-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide (CID 91924070) is N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCN(c2cnn(CC3CC3)c(=O)c2)CC1.
What is the InChIKey of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide?
The InChIKey is ZKFOZKRSYOPXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12(2)17(23)19-14-5-7-20(8-6-14)15-9-16(22)21(18-10-15)11-13-3-4-13/h9-10,12-14H,3-8,11H2,1-2H3,(H,19,23).
What are the key properties of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide?
N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide has a molecular weight of 318.42 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-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 91924070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).