1-butyl-6-oxo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pyridazine-3-carboxamide

C24H27N3O3 — CID 55694654

IUPAC1-butyl-6-oxo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCc2ccccc2COCc2ccccc2)ccc1=O
InChIInChI=1S/C24H27N3O3/c1-2-3-15-27-23(28)14-13-22(26-27)24(29)25-16-20-11-7-8-12-21(20)18-30-17-19-9-5-4-6-10-19/h4-14H,2-3,15-18H2,1H3,(H,25,29)
InChIKeyLPKWDXSVNXZWGA-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.69
Rot. Bonds10

About 1-butyl-6-oxo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pyridazine-3-carboxamide

1-butyl-6-oxo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pyridazine-3-carboxamide (PubChem CID 55694654) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-butyl-6-oxo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-6-oxo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pyridazine-3-carboxamide
PubChem CID55694654
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name1-butyl-6-oxo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCc2ccccc2COCc2ccccc2)ccc1=O
InChIInChI=1S/C24H27N3O3/c1-2-3-15-27-23(28)14-13-22(26-27)24(29)25-16-20-11-7-8-12-21(20)18-30-17-19-9-5-4-6-10-19/h4-14H,2-3,15-18H2,1H3,(H,25,29)
InChIKeyLPKWDXSVNXZWGA-UHFFFAOYSA-N
XLogP3.69
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide
CID 51233079
1-butyl-6-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyridazine-3-carboxamide
CID 55652495
1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide
CID 78774773
1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037
N-[2-(2-bromophenyl)ethyl]-1-butyl-6-oxopyridazine-3-carboxamide
CID 49003488
(2S)-3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833510
N-[(3-butoxyphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55749505
1-butyl-6-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 42161969
1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 39730942
1-butyl-6-oxo-N-prop-2-ynylpyridazine-3-carboxamide
CID 30600615
1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 111471904
1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide
CID 115701512

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-oxo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pyridazine-3-carboxamide?
The IUPAC name of 1-butyl-6-oxo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pyridazine-3-carboxamide (CID 55694654) is 1-butyl-6-oxo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-6-oxo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-6-oxo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pyridazine-3-carboxamide is CCCCn1nc(C(=O)NCc2ccccc2COCc2ccccc2)ccc1=O.
What is the InChIKey of 1-butyl-6-oxo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pyridazine-3-carboxamide?
The InChIKey is LPKWDXSVNXZWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-2-3-15-27-23(28)14-13-22(26-27)24(29)25-16-20-11-7-8-12-21(20)18-30-17-19-9-5-4-6-10-19/h4-14H,2-3,15-18H2,1H3,(H,25,29).
What are the key properties of 1-butyl-6-oxo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pyridazine-3-carboxamide?
1-butyl-6-oxo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pyridazine-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.69, 10 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-[[2-(phenylmethoxymethyl)phenyl]methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 55694654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).