N-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide

C19H22N4O — CID 41277760

IUPACN-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide
SMILESCN(CCCNC(=O)c1n[nH]c2ccccc12)Cc1ccccc1
InChIInChI=1S/C19H22N4O/c1-23(14-15-8-3-2-4-9-15)13-7-12-20-19(24)18-16-10-5-6-11-17(16)21-22-18/h2-6,8-11H,7,12-14H2,1H3,(H,20,24)(H,21,22)
InChIKeyCHCVCIYDDACTMG-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.81
Rot. Bonds7

About N-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide

N-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide (PubChem CID 41277760) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide
PubChem CID41277760
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide
SMILESCN(CCCNC(=O)c1n[nH]c2ccccc12)Cc1ccccc1
InChIInChI=1S/C19H22N4O/c1-23(14-15-8-3-2-4-9-15)13-7-12-20-19(24)18-16-10-5-6-11-17(16)21-22-18/h2-6,8-11H,7,12-14H2,1H3,(H,20,24)(H,21,22)
InChIKeyCHCVCIYDDACTMG-UHFFFAOYSA-N
XLogP2.81
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-tert-butylphenyl)methyl-methylamino]ethyl]-1H-indazole-3-carboxamide
CID 166329995
N-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide
CID 41277786
N-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30541088
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide
CID 47827735
N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide
CID 43596560
N-benzyl-N-(2-methoxyethyl)-1H-indazole-3-carboxamide
CID 31236371
N-[3-(diethylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 61149810
N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 51162817
ethyl 4-(1H-indazole-3-carbonylamino)butanoate
CID 60637293
N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
CID 110444087
N-(2-phenoxyethyl)-1H-indazole-3-carboxamide
CID 27758329
N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62490939

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide (CID 41277760) is N-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide is CN(CCCNC(=O)c1n[nH]c2ccccc12)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide?
The InChIKey is CHCVCIYDDACTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-23(14-15-8-3-2-4-9-15)13-7-12-20-19(24)18-16-10-5-6-11-17(16)21-22-18/h2-6,8-11H,7,12-14H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide?
N-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 41277760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).