N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]oxolane-2-carboxamide

C21H27N5O2 — CID 113043707

IUPACN-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]oxolane-2-carboxamide
SMILESCc1cccc(N2CCN(c3ccc(NC(=O)C4CCCO4)nn3)CC2)c1C
InChIInChI=1S/C21H27N5O2/c1-15-5-3-6-17(16(15)2)25-10-12-26(13-11-25)20-9-8-19(23-24-20)22-21(27)18-7-4-14-28-18/h3,5-6,8-9,18H,4,7,10-14H2,1-2H3,(H,22,23,27)
InChIKeySRNDYRIIXSNBMZ-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.54
Rot. Bonds4

About N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]oxolane-2-carboxamide

N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]oxolane-2-carboxamide (PubChem CID 113043707) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]oxolane-2-carboxamide
PubChem CID113043707
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]oxolane-2-carboxamide
SMILESCc1cccc(N2CCN(c3ccc(NC(=O)C4CCCO4)nn3)CC2)c1C
InChIInChI=1S/C21H27N5O2/c1-15-5-3-6-17(16(15)2)25-10-12-26(13-11-25)20-9-8-19(23-24-20)22-21(27)18-7-4-14-28-18/h3,5-6,8-9,18H,4,7,10-14H2,1-2H3,(H,22,23,27)
InChIKeySRNDYRIIXSNBMZ-UHFFFAOYSA-N
XLogP2.54
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-pyrrolidin-1-ylpyridazin-3-yl)oxolane-2-carboxamide
CID 113038690
N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]thiophene-2-carboxamide
CID 113043710
N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113032322
N-(6-cyclopropylpyridazin-3-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 127624784
N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153645
(2R)-N-[4-[(2,3-dimethylbenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396628
(2R)-N-(6-methyl-2-pyridinyl)oxolane-2-carboxamide
CID 40572544
N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide
CID 113028796
N-[6-(2,3-dimethylanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113017251
[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 7178110
N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]cyclohexanecarboxamide
CID 113043644

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]oxolane-2-carboxamide?
The IUPAC name of N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]oxolane-2-carboxamide (CID 113043707) is N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]oxolane-2-carboxamide is Cc1cccc(N2CCN(c3ccc(NC(=O)C4CCCO4)nn3)CC2)c1C.
What is the InChIKey of N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]oxolane-2-carboxamide?
The InChIKey is SRNDYRIIXSNBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15-5-3-6-17(16(15)2)25-10-12-26(13-11-25)20-9-8-19(23-24-20)22-21(27)18-7-4-14-28-18/h3,5-6,8-9,18H,4,7,10-14H2,1-2H3,(H,22,23,27).
What are the key properties of N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]oxolane-2-carboxamide?
N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]oxolane-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 113043707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).