N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

C13H13N3O — CID 20954266

IUPACN-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCNC(=O)c1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C13H13N3O/c1-14-13(17)12-10-7-6-8-4-2-3-5-9(8)11(10)15-16-12/h2-5H,6-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyLJYOIDIEWVFQLR-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.53
Rot. Bonds1

About N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (PubChem CID 20954266) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
PubChem CID20954266
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCNC(=O)c1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C13H13N3O/c1-14-13(17)12-10-7-6-8-4-2-3-5-9(8)11(10)15-16-12/h2-5H,6-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyLJYOIDIEWVFQLR-UHFFFAOYSA-N
XLogP1.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The IUPAC name of N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (CID 20954266) is N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.
What is the SMILES notation for N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The canonical SMILES for N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is CNC(=O)c1[nH]nc2c1CCc1ccccc1-2.
What is the InChIKey of N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The InChIKey is LJYOIDIEWVFQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-14-13(17)12-10-7-6-8-4-2-3-5-9(8)11(10)15-16-12/h2-5H,6-7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 20954266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).