N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide

C19H25N5O3 — CID 109124073

IUPACN-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(N2CCN(C(=O)c3ccco3)CC2)nn1
InChIInChI=1S/C19H25N5O3/c1-3-4-9-22(2)18(25)15-7-8-17(21-20-15)23-10-12-24(13-11-23)19(26)16-6-5-14-27-16/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyZAMQKXYZFOFPJO-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.90
Rot. Bonds6

About N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide

N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide (PubChem CID 109124073) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide
PubChem CID109124073
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(N2CCN(C(=O)c3ccco3)CC2)nn1
InChIInChI=1S/C19H25N5O3/c1-3-4-9-22(2)18(25)15-7-8-17(21-20-15)23-10-12-24(13-11-23)19(26)16-6-5-14-27-16/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyZAMQKXYZFOFPJO-UHFFFAOYSA-N
XLogP1.90
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyrazine-2-carboxamide
CID 109286550
N-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109216191
N-butyl-N-methyl-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116180
N-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-methylbenzamide
CID 109048336
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7292456
4-[6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-yl]piperazine-1-carbaldehyde
CID 109116815
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121393
furan-2-yl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883392
N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridazine-3-carboxamide
CID 109121746
N-butyl-N-methylfuran-2-carboxamide
CID 60670878
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridazin-3-yl]acetamide
CID 113043806
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115022

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide (CID 109124073) is N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide is CCCCN(C)C(=O)c1ccc(N2CCN(C(=O)c3ccco3)CC2)nn1.
What is the InChIKey of N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide?
The InChIKey is ZAMQKXYZFOFPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-3-4-9-22(2)18(25)15-7-8-17(21-20-15)23-10-12-24(13-11-23)19(26)16-6-5-14-27-16/h5-8,14H,3-4,9-13H2,1-2H3.
What are the key properties of N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide?
N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 109124073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).