5-(6-fluoro-5-methyl-3-pyridinyl)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide

C27H28FN3O3 — CID 71204912

IUPAC5-(6-fluoro-5-methyl-3-pyridinyl)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide
SMILESCCCOc1ccc(-c2cnc(F)c(C)c2)cc1C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12
InChIInChI=1S/C27H28FN3O3/c1-3-10-34-25-9-8-18(19-11-17(2)26(28)30-14-19)13-23(25)27(33)31-21(16-32)12-20-15-29-24-7-5-4-6-22(20)24/h4-9,11,13-15,21,29,32H,3,10,12,16H2,1-2H3,(H,31,33)/t21-/m0/s1
InChIKeyRFGQYDXXJWQGCY-NRFANRHFSA-N
MW461.54 g/mol
LogP4.80
Rot. Bonds9

About 5-(6-fluoro-5-methyl-3-pyridinyl)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide

5-(6-fluoro-5-methyl-3-pyridinyl)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide (PubChem CID 71204912) has the molecular formula C27H28FN3O3 and a molecular weight of 461.54 g/mol. Its IUPAC name is 5-(6-fluoro-5-methyl-3-pyridinyl)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide.

Molecular Properties

Compound Name5-(6-fluoro-5-methyl-3-pyridinyl)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide
PubChem CID71204912
Molecular FormulaC27H28FN3O3
Molecular Weight461.54 g/mol
Exact Mass461.21
IUPAC Name5-(6-fluoro-5-methyl-3-pyridinyl)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide
SMILESCCCOc1ccc(-c2cnc(F)c(C)c2)cc1C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12
InChIInChI=1S/C27H28FN3O3/c1-3-10-34-25-9-8-18(19-11-17(2)26(28)30-14-19)13-23(25)27(33)31-21(16-32)12-20-15-29-24-7-5-4-6-22(20)24/h4-9,11,13-15,21,29,32H,3,10,12,16H2,1-2H3,(H,31,33)/t21-/m0/s1
InChIKeyRFGQYDXXJWQGCY-NRFANRHFSA-N
XLogP4.80
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-5-(3-fluoro-4-propoxyphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 58832069
5-[3,5-bis(trifluoromethyl)phenyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide
CID 58832137
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(hydroxymethyl)phenyl]-2-propoxybenzamide
CID 58832033
5-(2,3-difluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide
CID 58832141
4-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]-4-propoxyphenyl]benzoic acid;molecular hydrogen
CID 162055148
5-(5-ethoxy-2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide
CID 58832154
N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-5-(4-methylphenyl)-2-propoxybenzamide
CID 71214868
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxy-5-quinolin-6-ylbenzamide
CID 58831865
N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-(3-methylsulfonylphenyl)-2-propoxybenzamide
CID 71206131
5-(2-fluoro-5-methoxyphenyl)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide
CID 159935743
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(methanesulfonamido)phenyl]-2-propoxybenzamide
CID 58831906
5-(1-benzothiophen-3-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide
CID 58832046

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-5-methyl-3-pyridinyl)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide?
The IUPAC name of 5-(6-fluoro-5-methyl-3-pyridinyl)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide (CID 71204912) is 5-(6-fluoro-5-methyl-3-pyridinyl)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide.
What is the SMILES notation for 5-(6-fluoro-5-methyl-3-pyridinyl)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide?
The canonical SMILES for 5-(6-fluoro-5-methyl-3-pyridinyl)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide is CCCOc1ccc(-c2cnc(F)c(C)c2)cc1C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12.
What is the InChIKey of 5-(6-fluoro-5-methyl-3-pyridinyl)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide?
The InChIKey is RFGQYDXXJWQGCY-NRFANRHFSA-N. The full InChI is InChI=1S/C27H28FN3O3/c1-3-10-34-25-9-8-18(19-11-17(2)26(28)30-14-19)13-23(25)27(33)31-21(16-32)12-20-15-29-24-7-5-4-6-22(20)24/h4-9,11,13-15,21,29,32H,3,10,12,16H2,1-2H3,(H,31,33)/t21-/m0/s1.
What are the key properties of 5-(6-fluoro-5-methyl-3-pyridinyl)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide?
5-(6-fluoro-5-methyl-3-pyridinyl)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide has a molecular weight of 461.54 g/mol, XLogP of 4.80, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-5-methyl-3-pyridinyl)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide is sourced from PubChem (CID 71204912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).