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

C25H27N3O3 — CID 177171149

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-6-[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 177170024
N,N-dimethyl-6-[1-(3-phenyl-1,4,2-dioxazole-5-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 177170585
6-[1-[(1R,3S)-3-[5-[2-[2-(dimethylamino)acetyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 177171516
6-[1-(1-cyanocyclopropanecarbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 177172124
N,N-dimethyl-6-[1-(6-oxo-1H-pyridazine-5-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 177171090
N,N-dimethyl-6-[1-[3-(5-methyltriazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 177169921
6-[1-[1-(4-chlorophenyl)-3-hydroxycyclobutanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 177171088
6-[1-(4-benzylmorpholine-2-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;ethane;6-[1-[(2S)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide;molecular hydrogen
CID 177172056
N,N-dimethyl-5-[1-(2-phenylacetyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide
CID 177171499
N,N-dimethyl-6-propan-2-yl-1H-indole-2-carboxamide
CID 47186797
6-[1-[(3R)-1-[[3-[4-[3-[5-[2-(dimethylcarbamoyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-6-oxopiperidin-3-yl]phenyl]phenyl]methyl]-5-oxopyrrolidine-3-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 177172134
N,N-dimethyl-4-phenoxy-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 177170048

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).