4-[benzyl(methyl)amino]-N-(1H-indazol-5-yl)butanamide

C19H22N4O — CID 18447148

IUPAC4-[benzyl(methyl)amino]-N-(1H-indazol-5-yl)butanamide
SMILESCN(CCCC(=O)Nc1ccc2[nH]ncc2c1)Cc1ccccc1
InChIInChI=1S/C19H22N4O/c1-23(14-15-6-3-2-4-7-15)11-5-8-19(24)21-17-9-10-18-16(12-17)13-20-22-18/h2-4,6-7,9-10,12-13H,5,8,11,14H2,1H3,(H,20,22)(H,21,24)
InChIKeyNUFBXSUQNLJGDP-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.41
Rot. Bonds7

About 4-[benzyl(methyl)amino]-N-(1H-indazol-5-yl)butanamide

4-[benzyl(methyl)amino]-N-(1H-indazol-5-yl)butanamide (PubChem CID 18447148) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-N-(1H-indazol-5-yl)butanamide.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]-N-(1H-indazol-5-yl)butanamide
PubChem CID18447148
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-[benzyl(methyl)amino]-N-(1H-indazol-5-yl)butanamide
SMILESCN(CCCC(=O)Nc1ccc2[nH]ncc2c1)Cc1ccccc1
InChIInChI=1S/C19H22N4O/c1-23(14-15-6-3-2-4-7-15)11-5-8-19(24)21-17-9-10-18-16(12-17)13-20-22-18/h2-4,6-7,9-10,12-13H,5,8,11,14H2,1H3,(H,20,22)(H,21,24)
InChIKeyNUFBXSUQNLJGDP-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 134037553
4-hydroxy-N-(1H-indazol-5-yl)butanamide
CID 79200157
3-chloro-N-(1H-indazol-5-yl)propanamide
CID 17164503
(5Z,8Z,11Z,14Z)-N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide
CID 25178128
N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide
CID 18070061
N-(1H-indazol-5-yl)-4,4-dimethylpentanamide
CID 155236090
N-(1H-indazol-5-yl)-3-thiophen-2-ylpropanamide
CID 134050773
3-(cyclopropylamino)-N-(1H-indazol-5-yl)propanamide
CID 60866208
anisole;N-(1H-indazol-5-yl)-2-(methylamino)acetamide
CID 142520969
N-(4-acetamidophenyl)-3-[benzyl(methyl)amino]propanamide
CID 109020641
2-(4-hydroxyphenyl)-N-(1H-indazol-5-yl)acetamide
CID 23570801
1-(1H-indazol-5-yl)-3-(2-methyl-4-phenylbutan-2-yl)urea
CID 139001345

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-N-(1H-indazol-5-yl)butanamide?
The IUPAC name of 4-[benzyl(methyl)amino]-N-(1H-indazol-5-yl)butanamide (CID 18447148) is 4-[benzyl(methyl)amino]-N-(1H-indazol-5-yl)butanamide.
What is the SMILES notation for 4-[benzyl(methyl)amino]-N-(1H-indazol-5-yl)butanamide?
The canonical SMILES for 4-[benzyl(methyl)amino]-N-(1H-indazol-5-yl)butanamide is CN(CCCC(=O)Nc1ccc2[nH]ncc2c1)Cc1ccccc1.
What is the InChIKey of 4-[benzyl(methyl)amino]-N-(1H-indazol-5-yl)butanamide?
The InChIKey is NUFBXSUQNLJGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-23(14-15-6-3-2-4-7-15)11-5-8-19(24)21-17-9-10-18-16(12-17)13-20-22-18/h2-4,6-7,9-10,12-13H,5,8,11,14H2,1H3,(H,20,22)(H,21,24).
What are the key properties of 4-[benzyl(methyl)amino]-N-(1H-indazol-5-yl)butanamide?
4-[benzyl(methyl)amino]-N-(1H-indazol-5-yl)butanamide has a molecular weight of 322.41 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]-N-(1H-indazol-5-yl)butanamide is sourced from PubChem (CID 18447148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).