(2S)-1-acetyl-N-(3-hydroxy-4-pyridinyl)-2,3-dihydroindole-2-carboxamide

C16H15N3O3 — CID 75376328

IUPAC(2S)-1-acetyl-N-(3-hydroxy-4-pyridinyl)-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1ccncc1O
InChIInChI=1S/C16H15N3O3/c1-10(20)19-13-5-3-2-4-11(13)8-14(19)16(22)18-12-6-7-17-9-15(12)21/h2-7,9,14,21H,8H2,1H3,(H,17,18,22)/t14-/m0/s1
InChIKeyXGGHCCPHOITCHJ-AWEZNQCLSA-N
MW297.31 g/mol
LogP1.70
Rot. Bonds2

About (2S)-1-acetyl-N-(3-hydroxy-4-pyridinyl)-2,3-dihydroindole-2-carboxamide

(2S)-1-acetyl-N-(3-hydroxy-4-pyridinyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 75376328) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2S)-1-acetyl-N-(3-hydroxy-4-pyridinyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-(3-hydroxy-4-pyridinyl)-2,3-dihydroindole-2-carboxamide
PubChem CID75376328
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name(2S)-1-acetyl-N-(3-hydroxy-4-pyridinyl)-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1ccncc1O
InChIInChI=1S/C16H15N3O3/c1-10(20)19-13-5-3-2-4-11(13)8-14(19)16(22)18-12-6-7-17-9-15(12)21/h2-7,9,14,21H,8H2,1H3,(H,17,18,22)/t14-/m0/s1
InChIKeyXGGHCCPHOITCHJ-AWEZNQCLSA-N
XLogP1.70
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
(2S)-1-acetyl-N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-2-carboxamide
CID 126824986
(2S)-1-acetyl-N-(1-ethyl-2-oxo-3-pyridinyl)-2,3-dihydroindole-2-carboxamide
CID 154779634
1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954321
(2R)-1-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-2-carboxamide
CID 92710254
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954315
(2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide
CID 97053576
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064
(2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 92710280
(2S)-1-acetyl-N-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 56800905
(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 51474982

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-(3-hydroxy-4-pyridinyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-(3-hydroxy-4-pyridinyl)-2,3-dihydroindole-2-carboxamide (CID 75376328) is (2S)-1-acetyl-N-(3-hydroxy-4-pyridinyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-(3-hydroxy-4-pyridinyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-(3-hydroxy-4-pyridinyl)-2,3-dihydroindole-2-carboxamide is CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1ccncc1O.
What is the InChIKey of (2S)-1-acetyl-N-(3-hydroxy-4-pyridinyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is XGGHCCPHOITCHJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10(20)19-13-5-3-2-4-11(13)8-14(19)16(22)18-12-6-7-17-9-15(12)21/h2-7,9,14,21H,8H2,1H3,(H,17,18,22)/t14-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-(3-hydroxy-4-pyridinyl)-2,3-dihydroindole-2-carboxamide?
(2S)-1-acetyl-N-(3-hydroxy-4-pyridinyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-(3-hydroxy-4-pyridinyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 75376328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).