6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-N-methylpyridazine-3-carboxamide

C17H23N7O2 — CID 133329524

IUPAC6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCCN(Cc3noc(C4CC4)n3)CC2)nn1
InChIInChI=1S/C17H23N7O2/c1-18-16(25)13-5-6-15(21-20-13)24-8-2-7-23(9-10-24)11-14-19-17(26-22-14)12-3-4-12/h5-6,12H,2-4,7-11H2,1H3,(H,18,25)
InChIKeyRINWAUHOIXTTLZ-UHFFFAOYSA-N
MW357.42 g/mol
LogP0.81
Rot. Bonds5

About 6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-N-methylpyridazine-3-carboxamide

6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-N-methylpyridazine-3-carboxamide (PubChem CID 133329524) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-N-methylpyridazine-3-carboxamide
PubChem CID133329524
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCCN(Cc3noc(C4CC4)n3)CC2)nn1
InChIInChI=1S/C17H23N7O2/c1-18-16(25)13-5-6-15(21-20-13)24-8-2-7-23(9-10-24)11-14-19-17(26-22-14)12-3-4-12/h5-6,12H,2-4,7-11H2,1H3,(H,18,25)
InChIKeyRINWAUHOIXTTLZ-UHFFFAOYSA-N
XLogP0.81
TPSA100.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-N-methylpyridazine-3-carboxamide (CID 133329524) is 6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(N2CCCN(Cc3noc(C4CC4)n3)CC2)nn1.
What is the InChIKey of 6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-N-methylpyridazine-3-carboxamide?
The InChIKey is RINWAUHOIXTTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-18-16(25)13-5-6-15(21-20-13)24-8-2-7-23(9-10-24)11-14-19-17(26-22-14)12-3-4-12/h5-6,12H,2-4,7-11H2,1H3,(H,18,25).
What are the key properties of 6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-N-methylpyridazine-3-carboxamide?
6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-N-methylpyridazine-3-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 133329524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).