N-cyclopentyl-2-[4-(6-oxo-3-phenyl-1H-pyridazin-4-yl)piperazin-1-yl]propanamide

C22H29N5O2 — CID 50953083

IUPACN-cyclopentyl-2-[4-(6-oxo-3-phenyl-1H-pyridazin-4-yl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1
InChIInChI=1S/C22H29N5O2/c1-16(22(29)23-18-9-5-6-10-18)26-11-13-27(14-12-26)19-15-20(28)24-25-21(19)17-7-3-2-4-8-17/h2-4,7-8,15-16,18H,5-6,9-14H2,1H3,(H,23,29)(H,24,28)
InChIKeyXBDXAIUDAFUYJX-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.01
Rot. Bonds5

About N-cyclopentyl-2-[4-(6-oxo-3-phenyl-1H-pyridazin-4-yl)piperazin-1-yl]propanamide

N-cyclopentyl-2-[4-(6-oxo-3-phenyl-1H-pyridazin-4-yl)piperazin-1-yl]propanamide (PubChem CID 50953083) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(6-oxo-3-phenyl-1H-pyridazin-4-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(6-oxo-3-phenyl-1H-pyridazin-4-yl)piperazin-1-yl]propanamide
PubChem CID50953083
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-cyclopentyl-2-[4-(6-oxo-3-phenyl-1H-pyridazin-4-yl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1
InChIInChI=1S/C22H29N5O2/c1-16(22(29)23-18-9-5-6-10-18)26-11-13-27(14-12-26)19-15-20(28)24-25-21(19)17-7-3-2-4-8-17/h2-4,7-8,15-16,18H,5-6,9-14H2,1H3,(H,23,29)(H,24,28)
InChIKeyXBDXAIUDAFUYJX-UHFFFAOYSA-N
XLogP2.01
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(6-oxo-3-phenyl-1H-pyridazin-4-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopentyl-2-[4-(6-oxo-3-phenyl-1H-pyridazin-4-yl)piperazin-1-yl]propanamide (CID 50953083) is N-cyclopentyl-2-[4-(6-oxo-3-phenyl-1H-pyridazin-4-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(6-oxo-3-phenyl-1H-pyridazin-4-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[4-(6-oxo-3-phenyl-1H-pyridazin-4-yl)piperazin-1-yl]propanamide is CC(C(=O)NC1CCCC1)N1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1.
What is the InChIKey of N-cyclopentyl-2-[4-(6-oxo-3-phenyl-1H-pyridazin-4-yl)piperazin-1-yl]propanamide?
The InChIKey is XBDXAIUDAFUYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-16(22(29)23-18-9-5-6-10-18)26-11-13-27(14-12-26)19-15-20(28)24-25-21(19)17-7-3-2-4-8-17/h2-4,7-8,15-16,18H,5-6,9-14H2,1H3,(H,23,29)(H,24,28).
What are the key properties of N-cyclopentyl-2-[4-(6-oxo-3-phenyl-1H-pyridazin-4-yl)piperazin-1-yl]propanamide?
N-cyclopentyl-2-[4-(6-oxo-3-phenyl-1H-pyridazin-4-yl)piperazin-1-yl]propanamide has a molecular weight of 395.51 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(6-oxo-3-phenyl-1H-pyridazin-4-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 50953083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).