N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]pentanamide

C20H27N5O2 — CID 113045434

IUPACN-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)nn1
InChIInChI=1S/C20H27N5O2/c1-3-4-5-20(26)21-18-10-11-19(23-22-18)25-14-12-24(13-15-25)16-6-8-17(27-2)9-7-16/h6-11H,3-5,12-15H2,1-2H3,(H,21,22,26)
InChIKeyPCBZEDZWXFRGJZ-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.94
Rot. Bonds7

About N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]pentanamide

N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]pentanamide (PubChem CID 113045434) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]pentanamide.

Molecular Properties

Compound NameN-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]pentanamide
PubChem CID113045434
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)nn1
InChIInChI=1S/C20H27N5O2/c1-3-4-5-20(26)21-18-10-11-19(23-22-18)25-14-12-24(13-15-25)16-6-8-17(27-2)9-7-16/h6-11H,3-5,12-15H2,1-2H3,(H,21,22,26)
InChIKeyPCBZEDZWXFRGJZ-UHFFFAOYSA-N
XLogP2.94
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]oxane-4-carboxamide
CID 113045448
2-(4-methoxyphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113040242
N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide
CID 4558492
[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111969
N-[6-(3-methoxyanilino)pyridazin-3-yl]pentanamide
CID 113048182
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxohexanamide
CID 113097929
1-butyl-3-(6-morpholin-4-ylpyridazin-3-yl)urea
CID 13157690
N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]pentanamide
CID 113029615
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]butanamide
CID 113043395
2-(4-methoxyphenyl)-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113045038
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide
CID 109288007
2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide
CID 113031151

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]pentanamide?
The IUPAC name of N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]pentanamide (CID 113045434) is N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]pentanamide.
What is the SMILES notation for N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]pentanamide?
The canonical SMILES for N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]pentanamide is CCCCC(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)nn1.
What is the InChIKey of N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]pentanamide?
The InChIKey is PCBZEDZWXFRGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-3-4-5-20(26)21-18-10-11-19(23-22-18)25-14-12-24(13-15-25)16-6-8-17(27-2)9-7-16/h6-11H,3-5,12-15H2,1-2H3,(H,21,22,26).
What are the key properties of N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]pentanamide?
N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]pentanamide has a molecular weight of 369.47 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]pentanamide is sourced from PubChem (CID 113045434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).