5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-3-carboxamide

C20H21N5O3 — CID 126936222

IUPAC5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(n3nc(-c4cccnc4)ccc3=O)CC2)no1
InChIInChI=1S/C20H21N5O3/c1-13-11-18(24-28-13)20(27)22-15-4-6-16(7-5-15)25-19(26)9-8-17(23-25)14-3-2-10-21-12-14/h2-3,8-12,15-16H,4-7H2,1H3,(H,22,27)
InChIKeySPAJOHRQFXHUOE-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.52
Rot. Bonds4

About 5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-3-carboxamide (PubChem CID 126936222) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-3-carboxamide
PubChem CID126936222
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(n3nc(-c4cccnc4)ccc3=O)CC2)no1
InChIInChI=1S/C20H21N5O3/c1-13-11-18(24-28-13)20(27)22-15-4-6-16(7-5-15)25-19(26)9-8-17(23-25)14-3-2-10-21-12-14/h2-3,8-12,15-16H,4-7H2,1H3,(H,22,27)
InChIKeySPAJOHRQFXHUOE-UHFFFAOYSA-N
XLogP2.52
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide
CID 126936204
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide
CID 126936200
2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
CID 126936292
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide
CID 126936220
2,4-dimethyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 126936211
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1H-indole-3-carboxamide
CID 126936213
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]oxolane-2-carboxamide
CID 126936236
2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936318
2-(1H-indol-3-yl)-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]acetamide
CID 126936252
6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936315
2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936493
5-cyclopropyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1H-pyrazole-3-carboxamide
CID 126936613

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-3-carboxamide (CID 126936222) is 5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC2CCC(n3nc(-c4cccnc4)ccc3=O)CC2)no1.
What is the InChIKey of 5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-3-carboxamide?
The InChIKey is SPAJOHRQFXHUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-11-18(24-28-13)20(27)22-15-4-6-16(7-5-15)25-19(26)9-8-17(23-25)14-3-2-10-21-12-14/h2-3,8-12,15-16H,4-7H2,1H3,(H,22,27).
What are the key properties of 5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 126936222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).