N-(1,3-dimethylindazol-6-yl)-6-methyl-1,4-oxazepane-4-carboxamide

C16H22N4O2 — CID 154793570

IUPACN-(1,3-dimethylindazol-6-yl)-6-methyl-1,4-oxazepane-4-carboxamide
SMILESCc1nn(C)c2cc(NC(=O)N3CCOCC(C)C3)ccc12
InChIInChI=1S/C16H22N4O2/c1-11-9-20(6-7-22-10-11)16(21)17-13-4-5-14-12(2)18-19(3)15(14)8-13/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,17,21)
InChIKeyUDENWUHZQYXJBL-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.38
Rot. Bonds1

About N-(1,3-dimethylindazol-6-yl)-6-methyl-1,4-oxazepane-4-carboxamide

N-(1,3-dimethylindazol-6-yl)-6-methyl-1,4-oxazepane-4-carboxamide (PubChem CID 154793570) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(1,3-dimethylindazol-6-yl)-6-methyl-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylindazol-6-yl)-6-methyl-1,4-oxazepane-4-carboxamide
PubChem CID154793570
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-(1,3-dimethylindazol-6-yl)-6-methyl-1,4-oxazepane-4-carboxamide
SMILESCc1nn(C)c2cc(NC(=O)N3CCOCC(C)C3)ccc12
InChIInChI=1S/C16H22N4O2/c1-11-9-20(6-7-22-10-11)16(21)17-13-4-5-14-12(2)18-19(3)15(14)8-13/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,17,21)
InChIKeyUDENWUHZQYXJBL-UHFFFAOYSA-N
XLogP2.38
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-N-(1,3-dimethylindazol-6-yl)morpholine-4-carboxamide
CID 128789472
2-chloro-N-(1,3-dimethylindazol-6-yl)acetamide
CID 166414870
N-(1-methylbenzimidazol-5-yl)morpholine-4-carboxamide
CID 110869159
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)morpholine-4-carboxamide
CID 110639589
N-(3-chloro-4-imidazol-1-ylphenyl)-6-hydroxy-1,4-oxazepane-4-carboxamide
CID 72863903
(6S)-N-[4-(3-acetylphenyl)phenyl]-6-hydroxy-1,4-oxazepane-4-carboxamide
CID 97285821
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
(3R)-N-(3-fluoro-4-propan-2-ylphenyl)-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide
CID 124744199
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
N-(2-methyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide
CID 24664341
N-(4-methoxy-3-methylphenyl)morpholine-4-carboxamide
CID 47322511
(6S)-6-(hydroxymethyl)-N-[3-(4-methylphenyl)phenyl]-1,4-oxazepane-4-carboxamide
CID 97453775

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylindazol-6-yl)-6-methyl-1,4-oxazepane-4-carboxamide?
The IUPAC name of N-(1,3-dimethylindazol-6-yl)-6-methyl-1,4-oxazepane-4-carboxamide (CID 154793570) is N-(1,3-dimethylindazol-6-yl)-6-methyl-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for N-(1,3-dimethylindazol-6-yl)-6-methyl-1,4-oxazepane-4-carboxamide?
The canonical SMILES for N-(1,3-dimethylindazol-6-yl)-6-methyl-1,4-oxazepane-4-carboxamide is Cc1nn(C)c2cc(NC(=O)N3CCOCC(C)C3)ccc12.
What is the InChIKey of N-(1,3-dimethylindazol-6-yl)-6-methyl-1,4-oxazepane-4-carboxamide?
The InChIKey is UDENWUHZQYXJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11-9-20(6-7-22-10-11)16(21)17-13-4-5-14-12(2)18-19(3)15(14)8-13/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,17,21).
What are the key properties of N-(1,3-dimethylindazol-6-yl)-6-methyl-1,4-oxazepane-4-carboxamide?
N-(1,3-dimethylindazol-6-yl)-6-methyl-1,4-oxazepane-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylindazol-6-yl)-6-methyl-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 154793570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).