1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide

C21H30N4O2 — CID 51233079

IUPAC1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCc2ccccc2CN(CC)CC)ccc1=O
InChIInChI=1S/C21H30N4O2/c1-4-7-14-25-20(26)13-12-19(23-25)21(27)22-15-17-10-8-9-11-18(17)16-24(5-2)6-3/h8-13H,4-7,14-16H2,1-3H3,(H,22,27)
InChIKeyQGZZAVVKNBEIGG-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.82
Rot. Bonds10

About 1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide

1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 51233079) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide
PubChem CID51233079
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCc2ccccc2CN(CC)CC)ccc1=O
InChIInChI=1S/C21H30N4O2/c1-4-7-14-25-20(26)13-12-19(23-25)21(27)22-15-17-10-8-9-11-18(17)16-24(5-2)6-3/h8-13H,4-7,14-16H2,1-3H3,(H,22,27)
InChIKeyQGZZAVVKNBEIGG-UHFFFAOYSA-N
XLogP2.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-6-oxo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pyridazine-3-carboxamide
CID 55694654
N-[2-(2-bromophenyl)ethyl]-1-butyl-6-oxopyridazine-3-carboxamide
CID 49003488
1-butyl-6-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyridazine-3-carboxamide
CID 55652495
1-butyl-6-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 42161969
1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037
1-butyl-6-oxo-N-prop-2-ynylpyridazine-3-carboxamide
CID 30600615
1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
CID 103919605
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-butyl-6-oxopyridazine-3-carboxamide
CID 49047307
1-butyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 32958719
1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide
CID 78774773
1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489
1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 111471904

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide (CID 51233079) is 1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NCc2ccccc2CN(CC)CC)ccc1=O.
What is the InChIKey of 1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is QGZZAVVKNBEIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-4-7-14-25-20(26)13-12-19(23-25)21(27)22-15-17-10-8-9-11-18(17)16-24(5-2)6-3/h8-13H,4-7,14-16H2,1-3H3,(H,22,27).
What are the key properties of 1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide?
1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 51233079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).