4-amino-2-(3-methoxyphenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide

C19H22N4O2 — CID 23570880

IUPAC4-amino-2-(3-methoxyphenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide
SMILESCOc1cccc(C(CCN)C(=O)Nc2ccc3n[nH]c(C)c3c2)c1
InChIInChI=1S/C19H22N4O2/c1-12-17-11-14(6-7-18(17)23-22-12)21-19(24)16(8-9-20)13-4-3-5-15(10-13)25-2/h3-7,10-11,16H,8-9,20H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyUEZZLZQBYCFAAN-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.95
Rot. Bonds6

About 4-amino-2-(3-methoxyphenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide

4-amino-2-(3-methoxyphenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide (PubChem CID 23570880) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-amino-2-(3-methoxyphenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide.

Molecular Properties

Compound Name4-amino-2-(3-methoxyphenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide
PubChem CID23570880
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-amino-2-(3-methoxyphenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide
SMILESCOc1cccc(C(CCN)C(=O)Nc2ccc3n[nH]c(C)c3c2)c1
InChIInChI=1S/C19H22N4O2/c1-12-17-11-14(6-7-18(17)23-22-12)21-19(24)16(8-9-20)13-4-3-5-15(10-13)25-2/h3-7,10-11,16H,8-9,20H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyUEZZLZQBYCFAAN-UHFFFAOYSA-N
XLogP2.95
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[amino-[2-amino-5-[[4-amino-2-(3-methoxyphenyl)butanoyl]amino]phenyl]methylidene]amino]benzamide
CID 142270647
4-amino-N-cyclopropyl-2-(3-methoxyphenyl)butanamide
CID 112515974
N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide
CID 146209069
N-[1-(3-methoxyphenyl)-2-(methylamino)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide
CID 146209021
4-amino-2-(3,4-dimethylphenyl)-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]butanamide
CID 142270961
2-(2-aminoethyl)-N-(3-methoxyphenyl)-3-methylbutanamide
CID 112516205
4-amino-N-[4-amino-3-[(4-methoxyphenyl)methyl]phenyl]-2-phenylbutanamide
CID 142270741
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methoxyphenyl)propanamide
CID 20950780
1-(3-amino-1H-indazol-5-yl)-3-[1-(3-methoxyphenyl)ethyl]urea
CID 74387811
N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(3-methyl-2H-indazol-5-yl)cyclopropane-1-carboxamide
CID 66685314
2-bromo-N-(1H-indazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 169099717
5-amino-2-(3-methoxyphenyl)pentanoic acid
CID 112511837

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-methoxyphenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide?
The IUPAC name of 4-amino-2-(3-methoxyphenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide (CID 23570880) is 4-amino-2-(3-methoxyphenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide.
What is the SMILES notation for 4-amino-2-(3-methoxyphenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide?
The canonical SMILES for 4-amino-2-(3-methoxyphenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide is COc1cccc(C(CCN)C(=O)Nc2ccc3n[nH]c(C)c3c2)c1.
What is the InChIKey of 4-amino-2-(3-methoxyphenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide?
The InChIKey is UEZZLZQBYCFAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-17-11-14(6-7-18(17)23-22-12)21-19(24)16(8-9-20)13-4-3-5-15(10-13)25-2/h3-7,10-11,16H,8-9,20H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-amino-2-(3-methoxyphenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide?
4-amino-2-(3-methoxyphenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide has a molecular weight of 338.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-methoxyphenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide is sourced from PubChem (CID 23570880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).