2-(3,4-dihydro-2H-chromen-6-yl)-N-(1H-indazol-6-yl)acetamide

C18H17N3O2 — CID 110771181

IUPAC2-(3,4-dihydro-2H-chromen-6-yl)-N-(1H-indazol-6-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCCO2)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C18H17N3O2/c22-18(20-15-5-4-14-11-19-21-16(14)10-15)9-12-3-6-17-13(8-12)2-1-7-23-17/h3-6,8,10-11H,1-2,7,9H2,(H,19,21)(H,20,22)
InChIKeyJIARRCXCKLCTMA-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.07
Rot. Bonds3

About 2-(3,4-dihydro-2H-chromen-6-yl)-N-(1H-indazol-6-yl)acetamide

2-(3,4-dihydro-2H-chromen-6-yl)-N-(1H-indazol-6-yl)acetamide (PubChem CID 110771181) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-6-yl)-N-(1H-indazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-6-yl)-N-(1H-indazol-6-yl)acetamide
PubChem CID110771181
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-(3,4-dihydro-2H-chromen-6-yl)-N-(1H-indazol-6-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCCO2)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C18H17N3O2/c22-18(20-15-5-4-14-11-19-21-16(14)10-15)9-12-3-6-17-13(8-12)2-1-7-23-17/h3-6,8,10-11H,1-2,7,9H2,(H,19,21)(H,20,22)
InChIKeyJIARRCXCKLCTMA-UHFFFAOYSA-N
XLogP3.07
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indazol-6-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110770216
N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide
CID 115166948
2-(4-aminophenyl)-N-(1H-indazol-6-yl)acetamide
CID 43710788
N-(1H-indazol-6-yl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772201
2-(3-fluorophenyl)-N-(1H-indazol-6-yl)acetamide
CID 36559456
N-(1H-indazol-6-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 84575634
2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-N-(1H-indazol-6-yl)acetamide
CID 110770980
N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)acetamide
CID 36561093
2-cyclopentyl-N-(1H-indazol-6-yl)acetamide
CID 47110222
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1H-indazol-6-yl)acetamide
CID 110754943
N-(1H-indazol-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110675279
N-(1H-indazol-6-yl)-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686639

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-N-(1H-indazol-6-yl)acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-N-(1H-indazol-6-yl)acetamide (CID 110771181) is 2-(3,4-dihydro-2H-chromen-6-yl)-N-(1H-indazol-6-yl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-6-yl)-N-(1H-indazol-6-yl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-6-yl)-N-(1H-indazol-6-yl)acetamide is O=C(Cc1ccc2c(c1)CCCO2)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-6-yl)-N-(1H-indazol-6-yl)acetamide?
The InChIKey is JIARRCXCKLCTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-18(20-15-5-4-14-11-19-21-16(14)10-15)9-12-3-6-17-13(8-12)2-1-7-23-17/h3-6,8,10-11H,1-2,7,9H2,(H,19,21)(H,20,22).
What are the key properties of 2-(3,4-dihydro-2H-chromen-6-yl)-N-(1H-indazol-6-yl)acetamide?
2-(3,4-dihydro-2H-chromen-6-yl)-N-(1H-indazol-6-yl)acetamide has a molecular weight of 307.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-6-yl)-N-(1H-indazol-6-yl)acetamide is sourced from PubChem (CID 110771181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).