6-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-N-phenylpyridazine-3-carboxamide

C22H21N7O2 — CID 133374685

IUPAC6-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-N-phenylpyridazine-3-carboxamide
SMILESCC(C)C(Nc1ccc(C(=O)Nc2ccccc2)nn1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C22H21N7O2/c1-14(2)19(22-26-20(29-31-22)15-10-12-23-13-11-15)25-18-9-8-17(27-28-18)21(30)24-16-6-4-3-5-7-16/h3-14,19H,1-2H3,(H,24,30)(H,25,28)
InChIKeyQQVBAOROGALCBY-UHFFFAOYSA-N
MW415.46 g/mol
LogP3.98
Rot. Bonds7

About 6-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-N-phenylpyridazine-3-carboxamide

6-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-N-phenylpyridazine-3-carboxamide (PubChem CID 133374685) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 6-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-N-phenylpyridazine-3-carboxamide
PubChem CID133374685
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name6-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-N-phenylpyridazine-3-carboxamide
SMILESCC(C)C(Nc1ccc(C(=O)Nc2ccccc2)nn1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C22H21N7O2/c1-14(2)19(22-26-20(29-31-22)15-10-12-23-13-11-15)25-18-9-8-17(27-28-18)21(30)24-16-6-4-3-5-7-16/h3-14,19H,1-2H3,(H,24,30)(H,25,28)
InChIKeyQQVBAOROGALCBY-UHFFFAOYSA-N
XLogP3.98
TPSA118.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-N-phenylpyridazine-3-carboxamide with MolForge

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Related Compounds

(1S)-N,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 59361184
6-ethyl-2-methyl-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]pyrimidin-4-amine
CID 133472609
N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 83288740
5-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
CID 95164209
3-amino-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]butanamide;dihydrochloride
CID 119871681
6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
CID 109125155
6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109118785
1-[(2-fluorophenyl)methyl]-3-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 51134100
6-hydrazinyl-N-pyridin-4-ylpyridazine-3-carboxamide
CID 62242357
2-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133374654
N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-chlorobenzamide
CID 98234867
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601

Frequently Asked Questions

What is the IUPAC name of 6-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-N-phenylpyridazine-3-carboxamide (CID 133374685) is 6-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-N-phenylpyridazine-3-carboxamide is CC(C)C(Nc1ccc(C(=O)Nc2ccccc2)nn1)c1nc(-c2ccncc2)no1.
What is the InChIKey of 6-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-N-phenylpyridazine-3-carboxamide?
The InChIKey is QQVBAOROGALCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-14(2)19(22-26-20(29-31-22)15-10-12-23-13-11-15)25-18-9-8-17(27-28-18)21(30)24-16-6-4-3-5-7-16/h3-14,19H,1-2H3,(H,24,30)(H,25,28).
What are the key properties of 6-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-N-phenylpyridazine-3-carboxamide?
6-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-N-phenylpyridazine-3-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133374685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).