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6-[1-[(2R)-3-hydroxy-2-phenylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide

C25H27N3O3 — CID 177171149

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[1-[(2R)-3-hydroxy-2-phenylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2ccc(C3=CCCN(C(=O)[C@@H](CO)c4ccccc4)C3)cc2[nH]1
InChIInChI=1S/C25H27N3O3/c1-27(2)25(31)23-14-19-11-10-18(13-22(19)26-23)20-9-6-12-28(15-20)24(30)21(16-29)17-7-4-3-5-8-17/h3-5,7-11,13-14,21,26,29H,6,12,15-16H2,1-2H3/t21-/m0/s1
InChIKeyVECVYVFLZAGOGL-NRFANRHFSA-N
MW417.51 g/mol
LogP3.26
Rot. Bonds5

About 6-[1-[(2R)-3-hydroxy-2-phenylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide

6-[1-[(2R)-3-hydroxy-2-phenylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide (PubChem CID 177171149) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 6-[1-[(2R)-3-hydroxy-2-phenylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-[1-[(2R)-3-hydroxy-2-phenylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
PubChem CID177171149
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name6-[1-[(2R)-3-hydroxy-2-phenylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2ccc(C3=CCCN(C(=O)[C@@H](CO)c4ccccc4)C3)cc2[nH]1
InChIInChI=1S/C25H27N3O3/c1-27(2)25(31)23-14-19-11-10-18(13-22(19)26-23)20-9-6-12-28(15-20)24(30)21(16-29)17-7-4-3-5-8-17/h3-5,7-11,13-14,21,26,29H,6,12,15-16H2,1-2H3/t21-/m0/s1
InChIKeyVECVYVFLZAGOGL-NRFANRHFSA-N
XLogP3.26
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2R)-3-hydroxy-2-phenylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of 6-[1-[(2R)-3-hydroxy-2-phenylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide (CID 177171149) is 6-[1-[(2R)-3-hydroxy-2-phenylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-[1-[(2R)-3-hydroxy-2-phenylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-[1-[(2R)-3-hydroxy-2-phenylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide is CN(C)C(=O)c1cc2ccc(C3=CCCN(C(=O)[C@@H](CO)c4ccccc4)C3)cc2[nH]1.
What is the InChIKey of 6-[1-[(2R)-3-hydroxy-2-phenylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
The InChIKey is VECVYVFLZAGOGL-NRFANRHFSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-27(2)25(31)23-14-19-11-10-18(13-22(19)26-23)20-9-6-12-28(15-20)24(30)21(16-29)17-7-4-3-5-8-17/h3-5,7-11,13-14,21,26,29H,6,12,15-16H2,1-2H3/t21-/m0/s1.
What are the key properties of 6-[1-[(2R)-3-hydroxy-2-phenylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
6-[1-[(2R)-3-hydroxy-2-phenylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2R)-3-hydroxy-2-phenylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 177171149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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