N-hydroxy-2-(1-methyl-6-pyridin-4-ylindazol-3-yl)-3-phenylpropanamide

C22H20N4O2 — CID 126601586

IUPACN-hydroxy-2-(1-methyl-6-pyridin-4-ylindazol-3-yl)-3-phenylpropanamide
SMILESCn1nc(C(Cc2ccccc2)C(=O)NO)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C22H20N4O2/c1-26-20-14-17(16-9-11-23-12-10-16)7-8-18(20)21(24-26)19(22(27)25-28)13-15-5-3-2-4-6-15/h2-12,14,19,28H,13H2,1H3,(H,25,27)
InChIKeyWKEMFRZOERACDQ-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.47
Rot. Bonds5

About N-hydroxy-2-(1-methyl-6-pyridin-4-ylindazol-3-yl)-3-phenylpropanamide

N-hydroxy-2-(1-methyl-6-pyridin-4-ylindazol-3-yl)-3-phenylpropanamide (PubChem CID 126601586) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-hydroxy-2-(1-methyl-6-pyridin-4-ylindazol-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-hydroxy-2-(1-methyl-6-pyridin-4-ylindazol-3-yl)-3-phenylpropanamide
PubChem CID126601586
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-hydroxy-2-(1-methyl-6-pyridin-4-ylindazol-3-yl)-3-phenylpropanamide
SMILESCn1nc(C(Cc2ccccc2)C(=O)NO)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C22H20N4O2/c1-26-20-14-17(16-9-11-23-12-10-16)7-8-18(20)21(24-26)19(22(27)25-28)13-15-5-3-2-4-6-15/h2-12,14,19,28H,13H2,1H3,(H,25,27)
InChIKeyWKEMFRZOERACDQ-UHFFFAOYSA-N
XLogP3.47
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 16193945
N-(3-fluoro-4-pyridyl)-2-(1-propoxyindol-3-yl)acetamide
CID 141490250
(E)-N-hydroxy-3-[4-[[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
CID 44205087
N-[3-(1H-indol-2-yl)phenyl]-1-[(1-isopropylpyrazol-4-yl)methyl]nipecotamide
CID 24819222
(E)-3-[4-[[2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 53363092
(E)-N-hydroxy-3-[4-[[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]prop-2-enamide
CID 53364357
3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-(1-pyridin-3-yl-1H-indol-3-yl)-pyrrole-2,5-dione
CID 10163439
3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-(1-phenyl-1H-indol-3-yl)-pyrrole-2,5-dione
CID 10184859
N-Isopropyl-N-(1-methyl-1H-pyrazol-3-ylmethyl)-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10221771
N-Isopropyl-N-(1-methyl-1H-pyrazol-4-ylmethyl)-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10271497
3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-(1-vinyl-1H-indol-3-yl)-pyrrole-2,5-dione
CID 10296960
2-(4-(pyridin-4-ylmethylcarbamoyl)phenyl)-2H-indazole-7-carboxamide
CID 46226283

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(1-methyl-6-pyridin-4-ylindazol-3-yl)-3-phenylpropanamide?
The IUPAC name of N-hydroxy-2-(1-methyl-6-pyridin-4-ylindazol-3-yl)-3-phenylpropanamide (CID 126601586) is N-hydroxy-2-(1-methyl-6-pyridin-4-ylindazol-3-yl)-3-phenylpropanamide.
What is the SMILES notation for N-hydroxy-2-(1-methyl-6-pyridin-4-ylindazol-3-yl)-3-phenylpropanamide?
The canonical SMILES for N-hydroxy-2-(1-methyl-6-pyridin-4-ylindazol-3-yl)-3-phenylpropanamide is Cn1nc(C(Cc2ccccc2)C(=O)NO)c2ccc(-c3ccncc3)cc21.
What is the InChIKey of N-hydroxy-2-(1-methyl-6-pyridin-4-ylindazol-3-yl)-3-phenylpropanamide?
The InChIKey is WKEMFRZOERACDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-26-20-14-17(16-9-11-23-12-10-16)7-8-18(20)21(24-26)19(22(27)25-28)13-15-5-3-2-4-6-15/h2-12,14,19,28H,13H2,1H3,(H,25,27).
What are the key properties of N-hydroxy-2-(1-methyl-6-pyridin-4-ylindazol-3-yl)-3-phenylpropanamide?
N-hydroxy-2-(1-methyl-6-pyridin-4-ylindazol-3-yl)-3-phenylpropanamide has a molecular weight of 372.43 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(1-methyl-6-pyridin-4-ylindazol-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 126601586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).