3-(3-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropanamide

C18H19N3O2 — CID 67356537

IUPAC3-(3-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropanamide
SMILESCNC(=O)CC(c1ccccc1)c1ccc2[nH]nc(OC)c2c1
InChIInChI=1S/C18H19N3O2/c1-19-17(22)11-14(12-6-4-3-5-7-12)13-8-9-16-15(10-13)18(23-2)21-20-16/h3-10,14H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyVXSITUSOOIPGAR-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.84
Rot. Bonds5

About 3-(3-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropanamide

3-(3-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropanamide (PubChem CID 67356537) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(3-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-(3-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropanamide
PubChem CID67356537
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-(3-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropanamide
SMILESCNC(=O)CC(c1ccccc1)c1ccc2[nH]nc(OC)c2c1
InChIInChI=1S/C18H19N3O2/c1-19-17(22)11-14(12-6-4-3-5-7-12)13-8-9-16-15(10-13)18(23-2)21-20-16/h3-10,14H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyVXSITUSOOIPGAR-UHFFFAOYSA-N
XLogP2.84
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3,3-diphenylpropanamide
CID 3373592
3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropanamide
CID 59831810
(3S)-3-(7-methoxy-1H-indazol-4-yl)-N-methyl-3-phenylpropanamide
CID 59831721
(3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide
CID 26400241
3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide
CID 45248528
(3S)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide
CID 26400238
3-(5-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropanamide
CID 67356165
1-[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R,2S)-2-hydroxy-3-methyl-1-phenylbutyl]urea
CID 118365064
3,3-diphenyl-N-(trideuteriomethyl)propanamide
CID 46782233
5-iodo-3-methoxy-1H-indazole
CID 133062595
N-methyl-3-(3-methyl-2H-indazol-6-yl)-3-pyridin-2-ylpropanamide
CID 143475490
1-[3-methoxy-4-(methylaminomethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118365096

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropanamide?
The IUPAC name of 3-(3-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropanamide (CID 67356537) is 3-(3-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-(3-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for 3-(3-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropanamide is CNC(=O)CC(c1ccccc1)c1ccc2[nH]nc(OC)c2c1.
What is the InChIKey of 3-(3-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropanamide?
The InChIKey is VXSITUSOOIPGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-19-17(22)11-14(12-6-4-3-5-7-12)13-8-9-16-15(10-13)18(23-2)21-20-16/h3-10,14H,11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3-(3-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropanamide?
3-(3-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropanamide has a molecular weight of 309.37 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 67356537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).