N-(1,3-dimethylindazol-6-yl)-5-methoxy-2,2-dimethylchromene-6-carboxamide

C22H23N3O3 — CID 171514386

IUPACN-(1,3-dimethylindazol-6-yl)-5-methoxy-2,2-dimethylchromene-6-carboxamide
SMILESCOc1c(C(=O)Nc2ccc3c(C)nn(C)c3c2)ccc2c1C=CC(C)(C)O2
InChIInChI=1S/C22H23N3O3/c1-13-15-7-6-14(12-18(15)25(4)24-13)23-21(26)17-8-9-19-16(20(17)27-5)10-11-22(2,3)28-19/h6-12H,1-5H3,(H,23,26)
InChIKeySMAAAERSDNWMGJ-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.33
Rot. Bonds3

About N-(1,3-dimethylindazol-6-yl)-5-methoxy-2,2-dimethylchromene-6-carboxamide

N-(1,3-dimethylindazol-6-yl)-5-methoxy-2,2-dimethylchromene-6-carboxamide (PubChem CID 171514386) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(1,3-dimethylindazol-6-yl)-5-methoxy-2,2-dimethylchromene-6-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylindazol-6-yl)-5-methoxy-2,2-dimethylchromene-6-carboxamide
PubChem CID171514386
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(1,3-dimethylindazol-6-yl)-5-methoxy-2,2-dimethylchromene-6-carboxamide
SMILESCOc1c(C(=O)Nc2ccc3c(C)nn(C)c3c2)ccc2c1C=CC(C)(C)O2
InChIInChI=1S/C22H23N3O3/c1-13-15-7-6-14(12-18(15)25(4)24-13)23-21(26)17-8-9-19-16(20(17)27-5)10-11-22(2,3)28-19/h6-12H,1-5H3,(H,23,26)
InChIKeySMAAAERSDNWMGJ-UHFFFAOYSA-N
XLogP4.33
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methoxy-2,2-dimethylchromen-6-yl)ethanone
CID 10879004
5-methoxy-N-[3-methoxy-4-(3-piperidin-4-ylpropoxy)phenyl]-2,2-dimethylchromene-6-carboxamide
CID 147002071
2-chloro-N-(1,3-dimethylindazol-6-yl)acetamide
CID 166414870
N-(3-methoxy-4-methylphenyl)-2,2-dimethylchromene-6-carboxamide
CID 118199635
(6-acetyl-2,2-dimethylchromen-5-yl) acetate
CID 162951359
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3,4-trimethoxybenzamide
CID 26954091
1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)butan-1-one
CID 118199588
4-(3,4-dimethoxyphenoxy)-1-(5-methoxy-2,2-dimethylchromen-6-yl)but-2-yn-1-one
CID 11292723
N-(3,4-dimethylphenyl)-2,2-dimethylchromene-6-carboxamide
CID 118199582
N-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61241001
N-(1,3-dimethylindazol-6-yl)-6-methyl-1,4-oxazepane-4-carboxamide
CID 154793570
(5-methoxy-2,2-dimethylchromen-6-yl)-(6-methoxy-7-methyl-2H-chromen-4-yl)methanone
CID 118199572

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylindazol-6-yl)-5-methoxy-2,2-dimethylchromene-6-carboxamide?
The IUPAC name of N-(1,3-dimethylindazol-6-yl)-5-methoxy-2,2-dimethylchromene-6-carboxamide (CID 171514386) is N-(1,3-dimethylindazol-6-yl)-5-methoxy-2,2-dimethylchromene-6-carboxamide.
What is the SMILES notation for N-(1,3-dimethylindazol-6-yl)-5-methoxy-2,2-dimethylchromene-6-carboxamide?
The canonical SMILES for N-(1,3-dimethylindazol-6-yl)-5-methoxy-2,2-dimethylchromene-6-carboxamide is COc1c(C(=O)Nc2ccc3c(C)nn(C)c3c2)ccc2c1C=CC(C)(C)O2.
What is the InChIKey of N-(1,3-dimethylindazol-6-yl)-5-methoxy-2,2-dimethylchromene-6-carboxamide?
The InChIKey is SMAAAERSDNWMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-13-15-7-6-14(12-18(15)25(4)24-13)23-21(26)17-8-9-19-16(20(17)27-5)10-11-22(2,3)28-19/h6-12H,1-5H3,(H,23,26).
What are the key properties of N-(1,3-dimethylindazol-6-yl)-5-methoxy-2,2-dimethylchromene-6-carboxamide?
N-(1,3-dimethylindazol-6-yl)-5-methoxy-2,2-dimethylchromene-6-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylindazol-6-yl)-5-methoxy-2,2-dimethylchromene-6-carboxamide is sourced from PubChem (CID 171514386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).