N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxypropanamide

C17H26N4O3 — CID 91911839

IUPACN-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCN(c2cnn(CC3CC3)c(=O)c2)CC1
InChIInChI=1S/C17H26N4O3/c1-24-9-6-16(22)19-14-4-7-20(8-5-14)15-10-17(23)21(18-11-15)12-13-2-3-13/h10-11,13-14H,2-9,12H2,1H3,(H,19,22)
InChIKeyWUQBTKPOENPMGF-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.77
Rot. Bonds7

About N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxypropanamide

N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxypropanamide (PubChem CID 91911839) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxypropanamide
PubChem CID91911839
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCN(c2cnn(CC3CC3)c(=O)c2)CC1
InChIInChI=1S/C17H26N4O3/c1-24-9-6-16(22)19-14-4-7-20(8-5-14)15-10-17(23)21(18-11-15)12-13-2-3-13/h10-11,13-14H,2-9,12H2,1H3,(H,19,22)
InChIKeyWUQBTKPOENPMGF-UHFFFAOYSA-N
XLogP0.77
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxypropanamide?
The IUPAC name of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxypropanamide (CID 91911839) is N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxypropanamide?
The canonical SMILES for N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxypropanamide is COCCC(=O)NC1CCN(c2cnn(CC3CC3)c(=O)c2)CC1.
What is the InChIKey of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxypropanamide?
The InChIKey is WUQBTKPOENPMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-24-9-6-16(22)19-14-4-7-20(8-5-14)15-10-17(23)21(18-11-15)12-13-2-3-13/h10-11,13-14H,2-9,12H2,1H3,(H,19,22).
What are the key properties of N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxypropanamide?
N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxypropanamide has a molecular weight of 334.42 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxypropanamide is sourced from PubChem (CID 91911839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).