N-decan-3-yl-1-methylindazole-3-carboxamide

C19H29N3O — CID 67866590

IUPACN-decan-3-yl-1-methylindazole-3-carboxamide
SMILESCCCCCCCC(CC)NC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C19H29N3O/c1-4-6-7-8-9-12-15(5-2)20-19(23)18-16-13-10-11-14-17(16)22(3)21-18/h10-11,13-15H,4-9,12H2,1-3H3,(H,20,23)
InChIKeyZTKQWJBIRRYKQS-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.44
Rot. Bonds9

About N-decan-3-yl-1-methylindazole-3-carboxamide

N-decan-3-yl-1-methylindazole-3-carboxamide (PubChem CID 67866590) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-decan-3-yl-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-decan-3-yl-1-methylindazole-3-carboxamide
PubChem CID67866590
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-decan-3-yl-1-methylindazole-3-carboxamide
SMILESCCCCCCCC(CC)NC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C19H29N3O/c1-4-6-7-8-9-12-15(5-2)20-19(23)18-16-13-10-11-14-17(16)22(3)21-18/h10-11,13-15H,4-9,12H2,1-3H3,(H,20,23)
InChIKeyZTKQWJBIRRYKQS-UHFFFAOYSA-N
XLogP4.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-decan-3-yl-1-methylindazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid
CID 107564755
N-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide
CID 103123150
N-(1-hydroxy-4-methylpentan-2-yl)-1-methylindazole-3-carboxamide
CID 103120120
3-butyl-4-oxo-N-pentan-3-ylphthalazine-1-carboxamide
CID 2107725
N-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide
CID 106152679
1-(1-methylindazol-3-yl)hexan-1-one
CID 103124222
3-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116476
1-(1-methylindazol-3-yl)heptan-1-ol
CID 103128650
methyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121157
2-(1-methylindol-3-yl)-N-octan-3-yl-2-oxoacetamide
CID 175772189
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
2-methyl-1-(1-methylindazol-3-yl)pentan-1-one
CID 107891232

Frequently Asked Questions

What is the IUPAC name of N-decan-3-yl-1-methylindazole-3-carboxamide?
The IUPAC name of N-decan-3-yl-1-methylindazole-3-carboxamide (CID 67866590) is N-decan-3-yl-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-decan-3-yl-1-methylindazole-3-carboxamide?
The canonical SMILES for N-decan-3-yl-1-methylindazole-3-carboxamide is CCCCCCCC(CC)NC(=O)c1nn(C)c2ccccc12.
What is the InChIKey of N-decan-3-yl-1-methylindazole-3-carboxamide?
The InChIKey is ZTKQWJBIRRYKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-4-6-7-8-9-12-15(5-2)20-19(23)18-16-13-10-11-14-17(16)22(3)21-18/h10-11,13-15H,4-9,12H2,1-3H3,(H,20,23).
What are the key properties of N-decan-3-yl-1-methylindazole-3-carboxamide?
N-decan-3-yl-1-methylindazole-3-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-decan-3-yl-1-methylindazole-3-carboxamide is sourced from PubChem (CID 67866590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).