N-(6-pentoxy-1-phenylpyridazin-4-ylidene)cyclopentanecarboxamide

C21H27N3O2 — CID 21246280

IUPACN-(6-pentoxy-1-phenylpyridazin-4-ylidene)cyclopentanecarboxamide
SMILESCCCCCOc1c/c(=N/C(=O)C2CCCC2)cnn1-c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-2-3-9-14-26-20-15-18(23-21(25)17-10-7-8-11-17)16-22-24(20)19-12-5-4-6-13-19/h4-6,12-13,15-17H,2-3,7-11,14H2,1H3/b23-18-
InChIKeyXPFDHRZOFQAADU-NKFKGCMQSA-N
MW353.47 g/mol
LogP4.06
Rot. Bonds7

About N-(6-pentoxy-1-phenylpyridazin-4-ylidene)cyclopentanecarboxamide

N-(6-pentoxy-1-phenylpyridazin-4-ylidene)cyclopentanecarboxamide (PubChem CID 21246280) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(6-pentoxy-1-phenylpyridazin-4-ylidene)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(6-pentoxy-1-phenylpyridazin-4-ylidene)cyclopentanecarboxamide
PubChem CID21246280
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(6-pentoxy-1-phenylpyridazin-4-ylidene)cyclopentanecarboxamide
SMILESCCCCCOc1c/c(=N/C(=O)C2CCCC2)cnn1-c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-2-3-9-14-26-20-15-18(23-21(25)17-10-7-8-11-17)16-22-24(20)19-12-5-4-6-13-19/h4-6,12-13,15-17H,2-3,7-11,14H2,1H3/b23-18-
InChIKeyXPFDHRZOFQAADU-NKFKGCMQSA-N
XLogP4.06
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-pentoxy-1-phenylpyridazin-4-ylidene)cyclopentanecarboxamide?
The IUPAC name of N-(6-pentoxy-1-phenylpyridazin-4-ylidene)cyclopentanecarboxamide (CID 21246280) is N-(6-pentoxy-1-phenylpyridazin-4-ylidene)cyclopentanecarboxamide.
What is the SMILES notation for N-(6-pentoxy-1-phenylpyridazin-4-ylidene)cyclopentanecarboxamide?
The canonical SMILES for N-(6-pentoxy-1-phenylpyridazin-4-ylidene)cyclopentanecarboxamide is CCCCCOc1c/c(=N/C(=O)C2CCCC2)cnn1-c1ccccc1.
What is the InChIKey of N-(6-pentoxy-1-phenylpyridazin-4-ylidene)cyclopentanecarboxamide?
The InChIKey is XPFDHRZOFQAADU-NKFKGCMQSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-2-3-9-14-26-20-15-18(23-21(25)17-10-7-8-11-17)16-22-24(20)19-12-5-4-6-13-19/h4-6,12-13,15-17H,2-3,7-11,14H2,1H3/b23-18-.
What are the key properties of N-(6-pentoxy-1-phenylpyridazin-4-ylidene)cyclopentanecarboxamide?
N-(6-pentoxy-1-phenylpyridazin-4-ylidene)cyclopentanecarboxamide has a molecular weight of 353.47 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-pentoxy-1-phenylpyridazin-4-ylidene)cyclopentanecarboxamide is sourced from PubChem (CID 21246280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).