N-[6-(4-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide

C21H27N5O2 — CID 113049774

IUPACN-[6-(4-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(N3CCCCC3)cc2)nn1)C1CCOCC1
InChIInChI=1S/C21H27N5O2/c27-21(16-10-14-28-15-11-16)23-20-9-8-19(24-25-20)22-17-4-6-18(7-5-17)26-12-2-1-3-13-26/h4-9,16H,1-3,10-15H2,(H,22,24)(H,23,25,27)
InChIKeyCVUZTLGZSFHORC-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.58
Rot. Bonds5

About N-[6-(4-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide

N-[6-(4-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide (PubChem CID 113049774) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[6-(4-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[6-(4-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide
PubChem CID113049774
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[6-(4-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(N3CCCCC3)cc2)nn1)C1CCOCC1
InChIInChI=1S/C21H27N5O2/c27-21(16-10-14-28-15-11-16)23-20-9-8-19(24-25-20)22-17-4-6-18(7-5-17)26-12-2-1-3-13-26/h4-9,16H,1-3,10-15H2,(H,22,24)(H,23,25,27)
InChIKeyCVUZTLGZSFHORC-UHFFFAOYSA-N
XLogP3.58
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
N-[6-(4-methylanilino)pyridazin-3-yl]cyclohexanecarboxamide
CID 113045805
N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113048072
N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]oxane-4-carboxamide
CID 113045448
4-methyl-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]benzamide
CID 113049713
1-[6-(4-imidazol-1-ylanilino)pyridazin-3-yl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 117087130
N-(1,3-benzodioxol-5-yl)-1-[6-(4-morpholin-4-ylanilino)pyridazin-3-yl]piperidine-4-carboxamide
CID 117083577
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
N-(6-piperidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 30179936
6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109126609
N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113049270
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113035628

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[6-(4-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide (CID 113049774) is N-[6-(4-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[6-(4-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[6-(4-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide is O=C(Nc1ccc(Nc2ccc(N3CCCCC3)cc2)nn1)C1CCOCC1.
What is the InChIKey of N-[6-(4-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide?
The InChIKey is CVUZTLGZSFHORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c27-21(16-10-14-28-15-11-16)23-20-9-8-19(24-25-20)22-17-4-6-18(7-5-17)26-12-2-1-3-13-26/h4-9,16H,1-3,10-15H2,(H,22,24)(H,23,25,27).
What are the key properties of N-[6-(4-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide?
N-[6-(4-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-piperidin-1-ylanilino)pyridazin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 113049774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).