N-(2-methoxyethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

C15H17N3O2 — CID 20953968

IUPACN-(2-methoxyethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCOCCNC(=O)c1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C15H17N3O2/c1-20-9-8-16-15(19)14-12-7-6-10-4-2-3-5-11(10)13(12)17-18-14/h2-5H,6-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyQUJLRJQSIURWQC-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.55
Rot. Bonds4

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

N-(2-methoxyethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (PubChem CID 20953968) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
PubChem CID20953968
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(2-methoxyethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCOCCNC(=O)c1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C15H17N3O2/c1-20-9-8-16-15(19)14-12-7-6-10-4-2-3-5-11(10)13(12)17-18-14/h2-5H,6-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyQUJLRJQSIURWQC-UHFFFAOYSA-N
XLogP1.55
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953939
N-[(2-fluorophenyl)methyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954009
N-(2-morpholin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953986
N-[(E)-4-(methylamino)-4-oxobut-2-enyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 122246984
N-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954051
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 71831326
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 90486461
15-chloro-N-(2-methoxyethyl)-11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene-14-carboxamide
CID 2054974
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 6862138
6-methoxy-N-(2-pyridin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 91821766
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 5402667
7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954035

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (CID 20953968) is N-(2-methoxyethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is COCCNC(=O)c1[nH]nc2c1CCc1ccccc1-2.
What is the InChIKey of N-(2-methoxyethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The InChIKey is QUJLRJQSIURWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-9-8-16-15(19)14-12-7-6-10-4-2-3-5-11(10)13(12)17-18-14/h2-5H,6-9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-(2-methoxyethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
N-(2-methoxyethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 20953968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).