5-(3-methylindazol-1-yl)-5-oxo-N-(1-phenylethyl)pentanamide

C21H23N3O2 — CID 22510290

IUPAC5-(3-methylindazol-1-yl)-5-oxo-N-(1-phenylethyl)pentanamide
SMILESCc1nn(C(=O)CCCC(=O)NC(C)c2ccccc2)c2ccccc12
InChIInChI=1S/C21H23N3O2/c1-15(17-9-4-3-5-10-17)22-20(25)13-8-14-21(26)24-19-12-7-6-11-18(19)16(2)23-24/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,22,25)
InChIKeyXLEXCJDIDAXTSM-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.03
Rot. Bonds6

About 5-(3-methylindazol-1-yl)-5-oxo-N-(1-phenylethyl)pentanamide

5-(3-methylindazol-1-yl)-5-oxo-N-(1-phenylethyl)pentanamide (PubChem CID 22510290) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-(3-methylindazol-1-yl)-5-oxo-N-(1-phenylethyl)pentanamide.

Molecular Properties

Compound Name5-(3-methylindazol-1-yl)-5-oxo-N-(1-phenylethyl)pentanamide
PubChem CID22510290
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name5-(3-methylindazol-1-yl)-5-oxo-N-(1-phenylethyl)pentanamide
SMILESCc1nn(C(=O)CCCC(=O)NC(C)c2ccccc2)c2ccccc12
InChIInChI=1S/C21H23N3O2/c1-15(17-9-4-3-5-10-17)22-20(25)13-8-14-21(26)24-19-12-7-6-11-18(19)16(2)23-24/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,22,25)
InChIKeyXLEXCJDIDAXTSM-UHFFFAOYSA-N
XLogP4.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide
CID 22509769
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
3-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide
CID 19543983
4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide
CID 16885773
3-(diethylamino)-N-(1-phenylethyl)propanamide
CID 109020107
S-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl] ethanethioate
CID 54240548
5-oxo-N-[(1R)-1-phenylethyl]-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide
CID 7341699
3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-phenylethyl)propanamide
CID 91960360
4-(5-methyl-3-nitropyrazol-1-yl)-N-(1-phenylethyl)butanamide
CID 12004778
4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylindazol-1-yl)-5-oxo-N-(1-phenylethyl)pentanamide?
The IUPAC name of 5-(3-methylindazol-1-yl)-5-oxo-N-(1-phenylethyl)pentanamide (CID 22510290) is 5-(3-methylindazol-1-yl)-5-oxo-N-(1-phenylethyl)pentanamide.
What is the SMILES notation for 5-(3-methylindazol-1-yl)-5-oxo-N-(1-phenylethyl)pentanamide?
The canonical SMILES for 5-(3-methylindazol-1-yl)-5-oxo-N-(1-phenylethyl)pentanamide is Cc1nn(C(=O)CCCC(=O)NC(C)c2ccccc2)c2ccccc12.
What is the InChIKey of 5-(3-methylindazol-1-yl)-5-oxo-N-(1-phenylethyl)pentanamide?
The InChIKey is XLEXCJDIDAXTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15(17-9-4-3-5-10-17)22-20(25)13-8-14-21(26)24-19-12-7-6-11-18(19)16(2)23-24/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,22,25).
What are the key properties of 5-(3-methylindazol-1-yl)-5-oxo-N-(1-phenylethyl)pentanamide?
5-(3-methylindazol-1-yl)-5-oxo-N-(1-phenylethyl)pentanamide has a molecular weight of 349.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylindazol-1-yl)-5-oxo-N-(1-phenylethyl)pentanamide is sourced from PubChem (CID 22510290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).