1-butyl-6-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide

C22H30N4O2 — CID 34242671

IUPAC1-butyl-6-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCc2ccc(CN3CCCCC3)cc2)ccc1=O
InChIInChI=1S/C22H30N4O2/c1-2-3-15-26-21(27)12-11-20(24-26)22(28)23-16-18-7-9-19(10-8-18)17-25-13-5-4-6-14-25/h7-12H,2-6,13-17H2,1H3,(H,23,28)
InChIKeyBFDRKKSAZHTSLO-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.96
Rot. Bonds8

About 1-butyl-6-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide

1-butyl-6-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide (PubChem CID 34242671) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-butyl-6-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-6-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide
PubChem CID34242671
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-butyl-6-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCc2ccc(CN3CCCCC3)cc2)ccc1=O
InChIInChI=1S/C22H30N4O2/c1-2-3-15-26-21(27)12-11-20(24-26)22(28)23-16-18-7-9-19(10-8-18)17-25-13-5-4-6-14-25/h7-12H,2-6,13-17H2,1H3,(H,23,28)
InChIKeyBFDRKKSAZHTSLO-UHFFFAOYSA-N
XLogP2.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-6-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridazine-3-carboxamide
CID 55381555
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18117439
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-butyl-6-oxopyridazine-3-carboxamide
CID 49047307
N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18105453
1-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-6-oxopyridazine-3-carboxamide
CID 55728121
1-butyl-6-oxo-N-prop-2-ynylpyridazine-3-carboxamide
CID 30600615
4-[2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]ethyl]benzoic acid
CID 71894223
1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
CID 42161985
2-butyl-6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one
CID 55360861
6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-propylpyridazine-3-carboxamide
CID 46464028
1-butyl-6-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 42161969
1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
CID 103919605

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide?
The IUPAC name of 1-butyl-6-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide (CID 34242671) is 1-butyl-6-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-6-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-6-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide is CCCCn1nc(C(=O)NCc2ccc(CN3CCCCC3)cc2)ccc1=O.
What is the InChIKey of 1-butyl-6-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide?
The InChIKey is BFDRKKSAZHTSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-2-3-15-26-21(27)12-11-20(24-26)22(28)23-16-18-7-9-19(10-8-18)17-25-13-5-4-6-14-25/h7-12H,2-6,13-17H2,1H3,(H,23,28).
What are the key properties of 1-butyl-6-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide?
1-butyl-6-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 34242671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).