N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide

C18H18N4O2 — CID 134037553

IUPACN-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide
SMILESO=C(Cc1ccccc1)NCCC(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C18H18N4O2/c23-17(21-15-6-7-16-14(11-15)12-20-22-16)8-9-19-18(24)10-13-4-2-1-3-5-13/h1-7,11-12H,8-10H2,(H,19,24)(H,20,22)(H,21,23)
InChIKeyFYQHTLIZSDIKBC-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.25
Rot. Bonds6

About N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide

N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 134037553) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide
PubChem CID134037553
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide
SMILESO=C(Cc1ccccc1)NCCC(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C18H18N4O2/c23-17(21-15-6-7-16-14(11-15)12-20-22-16)8-9-19-18(24)10-13-4-2-1-3-5-13/h1-7,11-12H,8-10H2,(H,19,24)(H,20,22)(H,21,23)
InChIKeyFYQHTLIZSDIKBC-UHFFFAOYSA-N
XLogP2.25
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl(methyl)amino]-N-(1H-indazol-5-yl)butanamide
CID 18447148
2-(4-hydroxyphenyl)-N-(1H-indazol-5-yl)acetamide
CID 23570801
3-chloro-N-(1H-indazol-5-yl)propanamide
CID 17164503
4-hydroxy-N-(1H-indazol-5-yl)butanamide
CID 79200157
3-(cyclopropylamino)-N-(1H-indazol-5-yl)propanamide
CID 60866208
N-(1H-indazol-5-yl)-4,4-dimethylpentanamide
CID 155236090
N-(1H-indazol-5-yl)-3-thiophen-2-ylpropanamide
CID 134050773
1-(1H-indazol-6-yl)-3-(2-phenylethyl)urea
CID 71655790
anisole;N-(1H-indazol-5-yl)-2-(methylamino)acetamide
CID 142520969
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea
CID 70689793
N-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18135257
N-(2-phenylethyl)-1H-indazole-5-carboxamide
CID 22933558

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide (CID 134037553) is N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide is O=C(Cc1ccccc1)NCCC(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is FYQHTLIZSDIKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-17(21-15-6-7-16-14(11-15)12-20-22-16)8-9-19-18(24)10-13-4-2-1-3-5-13/h1-7,11-12H,8-10H2,(H,19,24)(H,20,22)(H,21,23).
What are the key properties of N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide?
N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 322.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 134037553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).