8-(methylamino)-1-phenyl-4,5-dihydrobenzo[g]indazole-3-carboxamide

C19H18N4O — CID 142828818

IUPAC8-(methylamino)-1-phenyl-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCNc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccccc1)CC2
InChIInChI=1S/C19H18N4O/c1-21-13-9-7-12-8-10-15-17(19(20)24)22-23(18(15)16(12)11-13)14-5-3-2-4-6-14/h2-7,9,11,21H,8,10H2,1H3,(H2,20,24)
InChIKeyRGJGEZPACILJEG-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.78
Rot. Bonds3

About 8-(methylamino)-1-phenyl-4,5-dihydrobenzo[g]indazole-3-carboxamide

8-(methylamino)-1-phenyl-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 142828818) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 8-(methylamino)-1-phenyl-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name8-(methylamino)-1-phenyl-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID142828818
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name8-(methylamino)-1-phenyl-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCNc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccccc1)CC2
InChIInChI=1S/C19H18N4O/c1-21-13-9-7-12-8-10-15-17(19(20)24)22-23(18(15)16(12)11-13)14-5-3-2-4-6-14/h2-7,9,11,21H,8,10H2,1H3,(H2,20,24)
InChIKeyRGJGEZPACILJEG-UHFFFAOYSA-N
XLogP2.78
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(2-chlorobenzoyl)amino]-1-[4-[3-(methylamino)-3-oxoprop-1-enyl]phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 69411499
8-[(2-chlorobenzoyl)amino]-1-(4-propan-2-ylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 22291764
1-(4-ethenylphenyl)-8-(methylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide;(2Z)-2-formylpenta-2,4-dienimidoyl chloride
CID 142828956
1-(4-aminosulfanylphenyl)-8-formamido-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 142828755
8-[(2-chlorobenzoyl)amino]-1-(4-pyrrol-1-ylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 22291802
8-acetamido-1-phenyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 58859508
8-[(2-chlorobenzoyl)amino]-1-(3-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10115525
8-[(2-chlorobenzoyl)amino]-1-(4-cyanophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 22291904
8-[[(2E,4Z)-2,7-dimethylocta-2,4,6-trienoyl]amino]-1-(4-methylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 142223066
8-[[(2R)-2-aminopropanoyl]amino]-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10297872
8-[(2,3-dichlorobenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide;fluoromethane
CID 142828680
1-(4-aminosulfanylphenyl)-8-(thiophene-2-carbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 87999814

Frequently Asked Questions

What is the IUPAC name of 8-(methylamino)-1-phenyl-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 8-(methylamino)-1-phenyl-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 142828818) is 8-(methylamino)-1-phenyl-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 8-(methylamino)-1-phenyl-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 8-(methylamino)-1-phenyl-4,5-dihydrobenzo[g]indazole-3-carboxamide is CNc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccccc1)CC2.
What is the InChIKey of 8-(methylamino)-1-phenyl-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is RGJGEZPACILJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-21-13-9-7-12-8-10-15-17(19(20)24)22-23(18(15)16(12)11-13)14-5-3-2-4-6-14/h2-7,9,11,21H,8,10H2,1H3,(H2,20,24).
What are the key properties of 8-(methylamino)-1-phenyl-4,5-dihydrobenzo[g]indazole-3-carboxamide?
8-(methylamino)-1-phenyl-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methylamino)-1-phenyl-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 142828818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).