6-methoxy-N-(2-pyridin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

C20H20N4O2 — CID 91821766

IUPAC6-methoxy-N-(2-pyridin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCOc1cccc2c1CCc1c-2n[nH]c1C(=O)NCCc1ccncc1
InChIInChI=1S/C20H20N4O2/c1-26-17-4-2-3-15-14(17)5-6-16-18(15)23-24-19(16)20(25)22-12-9-13-7-10-21-11-8-13/h2-4,7-8,10-11H,5-6,9,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyALRXZHACPGKLFC-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.55
Rot. Bonds5

About 6-methoxy-N-(2-pyridin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

6-methoxy-N-(2-pyridin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (PubChem CID 91821766) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 6-methoxy-N-(2-pyridin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(2-pyridin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
PubChem CID91821766
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name6-methoxy-N-(2-pyridin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCOc1cccc2c1CCc1c-2n[nH]c1C(=O)NCCc1ccncc1
InChIInChI=1S/C20H20N4O2/c1-26-17-4-2-3-15-14(17)5-6-16-18(15)23-24-19(16)20(25)22-12-9-13-7-10-21-11-8-13/h2-4,7-8,10-11H,5-6,9,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyALRXZHACPGKLFC-UHFFFAOYSA-N
XLogP2.55
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953968
3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide
CID 44819015
N-[2-(dimethylamino)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953939
N-[2-[4-(dimethylamino)phenyl]ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 46981456
5-(2-methoxyphenyl)-3-methyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 46097081
4-chloro-5-methyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide
CID 121499652
7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954035
1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 974359
N-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954051
N-[2-(1H-imidazol-5-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 20954237
5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide
CID 61104069
ethyl 7-methoxy-4,5-dihydro-2H-[1]benzoxepino[5,4-c]pyrazole-3-carboxylate
CID 82250216

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-pyridin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The IUPAC name of 6-methoxy-N-(2-pyridin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (CID 91821766) is 6-methoxy-N-(2-pyridin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-(2-pyridin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The canonical SMILES for 6-methoxy-N-(2-pyridin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is COc1cccc2c1CCc1c-2n[nH]c1C(=O)NCCc1ccncc1.
What is the InChIKey of 6-methoxy-N-(2-pyridin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The InChIKey is ALRXZHACPGKLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-17-4-2-3-15-14(17)5-6-16-18(15)23-24-19(16)20(25)22-12-9-13-7-10-21-11-8-13/h2-4,7-8,10-11H,5-6,9,12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 6-methoxy-N-(2-pyridin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
6-methoxy-N-(2-pyridin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-pyridin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 91821766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).