N-(3-ethoxycyclobutyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide

C22H25N5O4 — CID 134588347

IUPACN-(3-ethoxycyclobutyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
SMILESCCOC1CC(NC(=O)c2ccc(OCc3c(-c4ccc(C)nc4)noc3C)nn2)C1
InChIInChI=1S/C22H25N5O4/c1-4-29-17-9-16(10-17)24-22(28)19-7-8-20(26-25-19)30-12-18-14(3)31-27-21(18)15-6-5-13(2)23-11-15/h5-8,11,16-17H,4,9-10,12H2,1-3H3,(H,24,28)
InChIKeyGSPMAICRXXSRDC-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.02
Rot. Bonds8

About N-(3-ethoxycyclobutyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide

N-(3-ethoxycyclobutyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide (PubChem CID 134588347) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-(3-ethoxycyclobutyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxycyclobutyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
PubChem CID134588347
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC NameN-(3-ethoxycyclobutyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
SMILESCCOC1CC(NC(=O)c2ccc(OCc3c(-c4ccc(C)nc4)noc3C)nn2)C1
InChIInChI=1S/C22H25N5O4/c1-4-29-17-9-16(10-17)24-22(28)19-7-8-20(26-25-19)30-12-18-14(3)31-27-21(18)15-6-5-13(2)23-11-15/h5-8,11,16-17H,4,9-10,12H2,1-3H3,(H,24,28)
InChIKeyGSPMAICRXXSRDC-UHFFFAOYSA-N
XLogP3.02
TPSA112.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-ethoxycyclohexyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 134604565
N-(3-methoxycyclopentyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 139529922
N-[4-(2,2-difluoroethoxy)cyclohexyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 134588497
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3S)-oxan-3-yl]pyridazine-3-carboxamide
CID 134590430
N-[(1R,3S)-3-hydroxy-3-methylcyclopentyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 139546813
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 134604405
6-[[5-cyclopropyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 134588264
6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 134588508
N-cyclopropyl-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboxamide
CID 134588252
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridazine-3-carboxamide
CID 134590463
N-cyclopropyl-6-[(5-methyl-3-pyridin-4-yl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxamide
CID 67158115
(3-fluoroazetidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone
CID 134588483

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxycyclobutyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide?
The IUPAC name of N-(3-ethoxycyclobutyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide (CID 134588347) is N-(3-ethoxycyclobutyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-ethoxycyclobutyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide?
The canonical SMILES for N-(3-ethoxycyclobutyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide is CCOC1CC(NC(=O)c2ccc(OCc3c(-c4ccc(C)nc4)noc3C)nn2)C1.
What is the InChIKey of N-(3-ethoxycyclobutyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide?
The InChIKey is GSPMAICRXXSRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-4-29-17-9-16(10-17)24-22(28)19-7-8-20(26-25-19)30-12-18-14(3)31-27-21(18)15-6-5-13(2)23-11-15/h5-8,11,16-17H,4,9-10,12H2,1-3H3,(H,24,28).
What are the key properties of N-(3-ethoxycyclobutyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide?
N-(3-ethoxycyclobutyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxycyclobutyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide is sourced from PubChem (CID 134588347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).