N'-(2,3-dihydro-1H-inden-5-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxamide

C19H22N4O2 — CID 56795741

IUPACN'-(2,3-dihydro-1H-inden-5-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxamide
SMILESCn1ncc2c1CCCC2NC(=O)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H22N4O2/c1-23-17-7-3-6-16(15(17)11-20-23)22-19(25)18(24)21-14-9-8-12-4-2-5-13(12)10-14/h8-11,16H,2-7H2,1H3,(H,21,24)(H,22,25)
InChIKeyHTXKYVXZHRRWTQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.04
Rot. Bonds2

About N'-(2,3-dihydro-1H-inden-5-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxamide

N'-(2,3-dihydro-1H-inden-5-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxamide (PubChem CID 56795741) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N'-(2,3-dihydro-1H-inden-5-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxamide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1H-inden-5-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxamide
PubChem CID56795741
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN'-(2,3-dihydro-1H-inden-5-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxamide
SMILESCn1ncc2c1CCCC2NC(=O)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H22N4O2/c1-23-17-7-3-6-16(15(17)11-20-23)22-19(25)18(24)21-14-9-8-12-4-2-5-13(12)10-14/h8-11,16H,2-7H2,1H3,(H,21,24)(H,22,25)
InChIKeyHTXKYVXZHRRWTQ-UHFFFAOYSA-N
XLogP2.04
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-methylsulfanylphenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxamide
CID 47044392
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 55923777
1-(1,3-benzodioxol-5-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 71942472
3-hydroxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95159871
1-(2-methyl-1,3-benzoxazol-6-yl)-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 95349793
N'-(4-tert-butylsulfanyl-2-methylphenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxamide
CID 86881140
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
(E)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)but-2-enamide
CID 110470220
1-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 94164715
N-(4-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254699
1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191515
2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975163

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1H-inden-5-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxamide?
The IUPAC name of N'-(2,3-dihydro-1H-inden-5-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxamide (CID 56795741) is N'-(2,3-dihydro-1H-inden-5-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxamide.
What is the SMILES notation for N'-(2,3-dihydro-1H-inden-5-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxamide?
The canonical SMILES for N'-(2,3-dihydro-1H-inden-5-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxamide is Cn1ncc2c1CCCC2NC(=O)C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N'-(2,3-dihydro-1H-inden-5-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxamide?
The InChIKey is HTXKYVXZHRRWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-23-17-7-3-6-16(15(17)11-20-23)22-19(25)18(24)21-14-9-8-12-4-2-5-13(12)10-14/h8-11,16H,2-7H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-(2,3-dihydro-1H-inden-5-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxamide?
N'-(2,3-dihydro-1H-inden-5-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxamide has a molecular weight of 338.41 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1H-inden-5-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxamide is sourced from PubChem (CID 56795741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).