(3R)-3-methyl-2-oxo-N-[2-(2-pyridin-3-yl-1H-indol-3-yl)ethyl]pentanamide

C21H23N3O2 — CID 102007995

IUPAC(3R)-3-methyl-2-oxo-N-[2-(2-pyridin-3-yl-1H-indol-3-yl)ethyl]pentanamide
SMILESCC[C@@H](C)C(=O)C(=O)NCCc1c(-c2cccnc2)[nH]c2ccccc12
InChIInChI=1S/C21H23N3O2/c1-3-14(2)20(25)21(26)23-12-10-17-16-8-4-5-9-18(16)24-19(17)15-7-6-11-22-13-15/h4-9,11,13-14,24H,3,10,12H2,1-2H3,(H,23,26)/t14-/m1/s1
InChIKeyVTKDECRRGTYHBN-CQSZACIVSA-N
MW349.43 g/mol
LogP3.50
Rot. Bonds7

About (3R)-3-methyl-2-oxo-N-[2-(2-pyridin-3-yl-1H-indol-3-yl)ethyl]pentanamide

(3R)-3-methyl-2-oxo-N-[2-(2-pyridin-3-yl-1H-indol-3-yl)ethyl]pentanamide (PubChem CID 102007995) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (3R)-3-methyl-2-oxo-N-[2-(2-pyridin-3-yl-1H-indol-3-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(3R)-3-methyl-2-oxo-N-[2-(2-pyridin-3-yl-1H-indol-3-yl)ethyl]pentanamide
PubChem CID102007995
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(3R)-3-methyl-2-oxo-N-[2-(2-pyridin-3-yl-1H-indol-3-yl)ethyl]pentanamide
SMILESCC[C@@H](C)C(=O)C(=O)NCCc1c(-c2cccnc2)[nH]c2ccccc12
InChIInChI=1S/C21H23N3O2/c1-3-14(2)20(25)21(26)23-12-10-17-16-8-4-5-9-18(16)24-19(17)15-7-6-11-22-13-15/h4-9,11,13-14,24H,3,10,12H2,1-2H3,(H,23,26)/t14-/m1/s1
InChIKeyVTKDECRRGTYHBN-CQSZACIVSA-N
XLogP3.50
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-methyl-N-[2-[2-(1-methylpyridin-1-ium-3-yl)-1H-indol-3-yl]ethyl]-2-oxopentanamide
CID 102007998
(2-pyridin-3-yl-1H-indol-3-yl) butanoate
CID 70194971
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
1-[4,5-dihydro-1H-imidazol-2-yl-[(2-pyridin-3-yl-1H-indol-3-yl)methyl]amino]butan-2-ol;hydroiodide
CID 21153715
5-bromo-N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]pyridine-3-carboxamide
CID 69321024
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-propan-2-yl-N-pyridin-3-ylpropanamide
CID 86847704
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 72879530
2-[2-(2-phenyl-1H-indol-3-yl)ethylamino]octanoic acid
CID 141150284
3-ethyl-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-2-carboxamide
CID 70754814
(2S)-8-oxo-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]-2-[(2-pyridin-4-ylsulfanylacetyl)amino]nonanamide
CID 69321858
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 2771714

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-2-oxo-N-[2-(2-pyridin-3-yl-1H-indol-3-yl)ethyl]pentanamide?
The IUPAC name of (3R)-3-methyl-2-oxo-N-[2-(2-pyridin-3-yl-1H-indol-3-yl)ethyl]pentanamide (CID 102007995) is (3R)-3-methyl-2-oxo-N-[2-(2-pyridin-3-yl-1H-indol-3-yl)ethyl]pentanamide.
What is the SMILES notation for (3R)-3-methyl-2-oxo-N-[2-(2-pyridin-3-yl-1H-indol-3-yl)ethyl]pentanamide?
The canonical SMILES for (3R)-3-methyl-2-oxo-N-[2-(2-pyridin-3-yl-1H-indol-3-yl)ethyl]pentanamide is CC[C@@H](C)C(=O)C(=O)NCCc1c(-c2cccnc2)[nH]c2ccccc12.
What is the InChIKey of (3R)-3-methyl-2-oxo-N-[2-(2-pyridin-3-yl-1H-indol-3-yl)ethyl]pentanamide?
The InChIKey is VTKDECRRGTYHBN-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-14(2)20(25)21(26)23-12-10-17-16-8-4-5-9-18(16)24-19(17)15-7-6-11-22-13-15/h4-9,11,13-14,24H,3,10,12H2,1-2H3,(H,23,26)/t14-/m1/s1.
What are the key properties of (3R)-3-methyl-2-oxo-N-[2-(2-pyridin-3-yl-1H-indol-3-yl)ethyl]pentanamide?
(3R)-3-methyl-2-oxo-N-[2-(2-pyridin-3-yl-1H-indol-3-yl)ethyl]pentanamide has a molecular weight of 349.43 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-2-oxo-N-[2-(2-pyridin-3-yl-1H-indol-3-yl)ethyl]pentanamide is sourced from PubChem (CID 102007995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).