1-(cyclohexanecarbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide

C19H22N4O2 — CID 22291434

IUPAC1-(cyclohexanecarbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(NC(=O)C2CCCCC2)c2c1CCc1ccccc1-2
InChIInChI=1S/C19H22N4O2/c20-18(24)16-15-11-10-12-6-4-5-9-14(12)17(15)23(21-16)22-19(25)13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10-11H2,(H2,20,24)(H,22,25)
InChIKeyAXMYCGBFWSXRAR-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.40
Rot. Bonds3

About 1-(cyclohexanecarbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide

1-(cyclohexanecarbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 22291434) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(cyclohexanecarbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexanecarbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID22291434
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-(cyclohexanecarbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(NC(=O)C2CCCCC2)c2c1CCc1ccccc1-2
InChIInChI=1S/C19H22N4O2/c20-18(24)16-15-11-10-12-6-4-5-9-14(12)17(15)23(21-16)22-19(25)13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10-11H2,(H2,20,24)(H,22,25)
InChIKeyAXMYCGBFWSXRAR-UHFFFAOYSA-N
XLogP2.40
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 1-(cyclohexanecarbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 22291434) is 1-(cyclohexanecarbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 1-(cyclohexanecarbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 1-(cyclohexanecarbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide is NC(=O)c1nn(NC(=O)C2CCCCC2)c2c1CCc1ccccc1-2.
What is the InChIKey of 1-(cyclohexanecarbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is AXMYCGBFWSXRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c20-18(24)16-15-11-10-12-6-4-5-9-14(12)17(15)23(21-16)22-19(25)13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10-11H2,(H2,20,24)(H,22,25).
What are the key properties of 1-(cyclohexanecarbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
1-(cyclohexanecarbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 22291434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).