3-anilino-1-[(2S)-1-hydroxypropan-2-yl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indole-6-carboxamide

C23H24N4O3 — CID 146458251

IUPAC3-anilino-1-[(2S)-1-hydroxypropan-2-yl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indole-6-carboxamide
SMILESC[C@@H](CO)n1c2c(c(Nc3ccccc3)c1-c1ccncc1)C(=O)CC(C(N)=O)C2
InChIInChI=1S/C23H24N4O3/c1-14(13-28)27-18-11-16(23(24)30)12-19(29)20(18)21(26-17-5-3-2-4-6-17)22(27)15-7-9-25-10-8-15/h2-10,14,16,26,28H,11-13H2,1H3,(H2,24,30)/t14-,16?/m0/s1
InChIKeyADPQZYVAVJEGAJ-LBAUFKAWSA-N
MW404.47 g/mol
LogP3.08
Rot. Bonds6

About 3-anilino-1-[(2S)-1-hydroxypropan-2-yl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indole-6-carboxamide

3-anilino-1-[(2S)-1-hydroxypropan-2-yl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indole-6-carboxamide (PubChem CID 146458251) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-anilino-1-[(2S)-1-hydroxypropan-2-yl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indole-6-carboxamide.

Molecular Properties

Compound Name3-anilino-1-[(2S)-1-hydroxypropan-2-yl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indole-6-carboxamide
PubChem CID146458251
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name3-anilino-1-[(2S)-1-hydroxypropan-2-yl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indole-6-carboxamide
SMILESC[C@@H](CO)n1c2c(c(Nc3ccccc3)c1-c1ccncc1)C(=O)CC(C(N)=O)C2
InChIInChI=1S/C23H24N4O3/c1-14(13-28)27-18-11-16(23(24)30)12-19(29)20(18)21(26-17-5-3-2-4-6-17)22(27)15-7-9-25-10-8-15/h2-10,14,16,26,28H,11-13H2,1H3,(H2,24,30)/t14-,16?/m0/s1
InChIKeyADPQZYVAVJEGAJ-LBAUFKAWSA-N
XLogP3.08
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-anilino-1-[(2S)-1-hydroxypropan-2-yl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indole-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-anilino-1-(2-hydroxyethyl)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydroindol-4-one
CID 118607013
(2S)-2-amino-N-[(3-anilino-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-6-yl)methyl]propanamide
CID 134563216
N-[(3-anilino-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-6-yl)methyl]acetamide
CID 134563179
3-anilino-N-methyl-N-(2-nitroethyl)-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxamide
CID 147910091
1-ethyl-N-phenyl-2-pyridin-4-yl-4,5,6,7-tetrahydroindol-3-amine
CID 151690392
methyl 3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-4-oxo-1,5,6,7-tetrahydroindole-6-carboxylate
CID 134575266
3-benzyl-4-oxo-N,N-di(propan-2-yl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxamide
CID 152782851
3-anilino-2-[3-(2-hydroxyethoxy)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide
CID 134563196
3-anilino-6-[1-(2-methylsulfonylethylamino)ethyl]-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
CID 129272946
2-(2-amino-4-pyridinyl)-3-anilino-6-methyl-1,5,6,7-tetrahydroindol-4-one
CID 134582000
methyl 3-(3-fluoroanilino)-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxylate
CID 146516174
N-[4-[3-anilino-6-(hydroxymethyl)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]acetamide;ethane;formaldehyde
CID 145208929

Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-[(2S)-1-hydroxypropan-2-yl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indole-6-carboxamide?
The IUPAC name of 3-anilino-1-[(2S)-1-hydroxypropan-2-yl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indole-6-carboxamide (CID 146458251) is 3-anilino-1-[(2S)-1-hydroxypropan-2-yl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indole-6-carboxamide.
What is the SMILES notation for 3-anilino-1-[(2S)-1-hydroxypropan-2-yl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indole-6-carboxamide?
The canonical SMILES for 3-anilino-1-[(2S)-1-hydroxypropan-2-yl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indole-6-carboxamide is C[C@@H](CO)n1c2c(c(Nc3ccccc3)c1-c1ccncc1)C(=O)CC(C(N)=O)C2.
What is the InChIKey of 3-anilino-1-[(2S)-1-hydroxypropan-2-yl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indole-6-carboxamide?
The InChIKey is ADPQZYVAVJEGAJ-LBAUFKAWSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14(13-28)27-18-11-16(23(24)30)12-19(29)20(18)21(26-17-5-3-2-4-6-17)22(27)15-7-9-25-10-8-15/h2-10,14,16,26,28H,11-13H2,1H3,(H2,24,30)/t14-,16?/m0/s1.
What are the key properties of 3-anilino-1-[(2S)-1-hydroxypropan-2-yl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indole-6-carboxamide?
3-anilino-1-[(2S)-1-hydroxypropan-2-yl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indole-6-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-[(2S)-1-hydroxypropan-2-yl]-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indole-6-carboxamide is sourced from PubChem (CID 146458251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).