butyl N-[6-(1-ethoxyethenyl)pyridazin-3-yl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]carbamate

C23H29FN4O3 — CID 67453815

IUPACbutyl N-[6-(1-ethoxyethenyl)pyridazin-3-yl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]carbamate
SMILESC=C(OCC)c1ccc(N(CC2(c3ncccc3F)CCC2)C(=O)OCCCC)nn1
InChIInChI=1S/C23H29FN4O3/c1-4-6-15-31-22(29)28(20-11-10-19(26-27-20)17(3)30-5-2)16-23(12-8-13-23)21-18(24)9-7-14-25-21/h7,9-11,14H,3-6,8,12-13,15-16H2,1-2H3
InChIKeyZBZOSBNWQZKFPD-UHFFFAOYSA-N
MW428.51 g/mol
LogP4.88
Rot. Bonds10

About butyl N-[6-(1-ethoxyethenyl)pyridazin-3-yl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]carbamate

butyl N-[6-(1-ethoxyethenyl)pyridazin-3-yl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]carbamate (PubChem CID 67453815) has the molecular formula C23H29FN4O3 and a molecular weight of 428.51 g/mol. Its IUPAC name is butyl N-[6-(1-ethoxyethenyl)pyridazin-3-yl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]carbamate.

Molecular Properties

Compound Namebutyl N-[6-(1-ethoxyethenyl)pyridazin-3-yl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]carbamate
PubChem CID67453815
Molecular FormulaC23H29FN4O3
Molecular Weight428.51 g/mol
Exact Mass428.22
IUPAC Namebutyl N-[6-(1-ethoxyethenyl)pyridazin-3-yl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]carbamate
SMILESC=C(OCC)c1ccc(N(CC2(c3ncccc3F)CCC2)C(=O)OCCCC)nn1
InChIInChI=1S/C23H29FN4O3/c1-4-6-15-31-22(29)28(20-11-10-19(26-27-20)17(3)30-5-2)16-23(12-8-13-23)21-18(24)9-7-14-25-21/h7,9-11,14H,3-6,8,12-13,15-16H2,1-2H3
InChIKeyZBZOSBNWQZKFPD-UHFFFAOYSA-N
XLogP4.88
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl N-[6-(1-ethoxyethenyl)pyridazin-3-yl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-N-[6-[5-(5-oxo-1,4-dihydroimidazol-2-yl)thiophen-2-yl]pyridazin-3-yl]carbamate
CID 159627679
[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl-[6-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyridazin-3-yl]carbamic acid
CID 67453855
tert-butyl N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-N-[6-[5-[[[2-(methylideneamino)acetyl]amino]methyl]-1,3-thiazol-2-yl]pyridazin-3-yl]carbamate
CID 146976705
ethyl 2-[[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 88899815
2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol;methyl 6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carboxylate
CID 161332730
ethyl 2-[5-[[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-formylamino]-1,3,4-thiadiazol-2-yl]acetate
CID 118498140
carbon dioxide;3-(5-ethyl-2H-pyrrol-3-yl)-6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazine;1-[6-[2-[1-(3-fluoro-2-pyridinyl)cyclobutyl]ethyl]pyridazin-3-yl]ethanone
CID 162023209
4-[5-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3,4-thiadiazol-2-yl]benzamide
CID 70974823
6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-N-(5-methyl-1H-imidazol-4-yl)pyridazine-3-carboxamide
CID 131981908
6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide
CID 88899569
4-fluoro-3-[2-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyrimidin-5-yl]benzamide
CID 71268097
2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide
CID 77432036

Frequently Asked Questions

What is the IUPAC name of butyl N-[6-(1-ethoxyethenyl)pyridazin-3-yl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]carbamate?
The IUPAC name of butyl N-[6-(1-ethoxyethenyl)pyridazin-3-yl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]carbamate (CID 67453815) is butyl N-[6-(1-ethoxyethenyl)pyridazin-3-yl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]carbamate.
What is the SMILES notation for butyl N-[6-(1-ethoxyethenyl)pyridazin-3-yl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]carbamate?
The canonical SMILES for butyl N-[6-(1-ethoxyethenyl)pyridazin-3-yl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]carbamate is C=C(OCC)c1ccc(N(CC2(c3ncccc3F)CCC2)C(=O)OCCCC)nn1.
What is the InChIKey of butyl N-[6-(1-ethoxyethenyl)pyridazin-3-yl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]carbamate?
The InChIKey is ZBZOSBNWQZKFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3/c1-4-6-15-31-22(29)28(20-11-10-19(26-27-20)17(3)30-5-2)16-23(12-8-13-23)21-18(24)9-7-14-25-21/h7,9-11,14H,3-6,8,12-13,15-16H2,1-2H3.
What are the key properties of butyl N-[6-(1-ethoxyethenyl)pyridazin-3-yl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]carbamate?
butyl N-[6-(1-ethoxyethenyl)pyridazin-3-yl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]carbamate has a molecular weight of 428.51 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[6-(1-ethoxyethenyl)pyridazin-3-yl]-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]carbamate is sourced from PubChem (CID 67453815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).