N-[(1R,2R)-1-hydroxy-1-(3-methyl-2-pyridinyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide

C20H23N3O3 — CID 164610077

IUPACN-[(1R,2R)-1-hydroxy-1-(3-methyl-2-pyridinyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
SMILESCCC[C@@H](NC(=O)c1cccc2c1CC(=O)N2)[C@@H](O)c1ncccc1C
InChIInChI=1S/C20H23N3O3/c1-3-6-16(19(25)18-12(2)7-5-10-21-18)23-20(26)13-8-4-9-15-14(13)11-17(24)22-15/h4-5,7-10,16,19,25H,3,6,11H2,1-2H3,(H,22,24)(H,23,26)/t16-,19-/m1/s1
InChIKeyDZOFJLPNYYFFBT-VQIMIIECSA-N
MW353.42 g/mol
LogP2.52
Rot. Bonds6

About N-[(1R,2R)-1-hydroxy-1-(3-methyl-2-pyridinyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide

N-[(1R,2R)-1-hydroxy-1-(3-methyl-2-pyridinyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide (PubChem CID 164610077) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[(1R,2R)-1-hydroxy-1-(3-methyl-2-pyridinyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-hydroxy-1-(3-methyl-2-pyridinyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
PubChem CID164610077
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[(1R,2R)-1-hydroxy-1-(3-methyl-2-pyridinyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
SMILESCCC[C@@H](NC(=O)c1cccc2c1CC(=O)N2)[C@@H](O)c1ncccc1C
InChIInChI=1S/C20H23N3O3/c1-3-6-16(19(25)18-12(2)7-5-10-21-18)23-20(26)13-8-4-9-15-14(13)11-17(24)22-15/h4-5,7-10,16,19,25H,3,6,11H2,1-2H3,(H,22,24)(H,23,26)/t16-,19-/m1/s1
InChIKeyDZOFJLPNYYFFBT-VQIMIIECSA-N
XLogP2.52
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-hydroxy-1-(3-methyl-2-pyridinyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
The IUPAC name of N-[(1R,2R)-1-hydroxy-1-(3-methyl-2-pyridinyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide (CID 164610077) is N-[(1R,2R)-1-hydroxy-1-(3-methyl-2-pyridinyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-1-hydroxy-1-(3-methyl-2-pyridinyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-1-hydroxy-1-(3-methyl-2-pyridinyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide is CCC[C@@H](NC(=O)c1cccc2c1CC(=O)N2)[C@@H](O)c1ncccc1C.
What is the InChIKey of N-[(1R,2R)-1-hydroxy-1-(3-methyl-2-pyridinyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
The InChIKey is DZOFJLPNYYFFBT-VQIMIIECSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-6-16(19(25)18-12(2)7-5-10-21-18)23-20(26)13-8-4-9-15-14(13)11-17(24)22-15/h4-5,7-10,16,19,25H,3,6,11H2,1-2H3,(H,22,24)(H,23,26)/t16-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-1-hydroxy-1-(3-methyl-2-pyridinyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
N-[(1R,2R)-1-hydroxy-1-(3-methyl-2-pyridinyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-hydroxy-1-(3-methyl-2-pyridinyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 164610077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).