3-[(3S)-1-acetyl-2,3-dihydroindol-3-yl]-N-methyl-N-pyridin-3-ylpropanamide

C19H21N3O2 — CID 124736923

IUPAC3-[(3S)-1-acetyl-2,3-dihydroindol-3-yl]-N-methyl-N-pyridin-3-ylpropanamide
SMILESCC(=O)N1C[C@@H](CCC(=O)N(C)c2cccnc2)c2ccccc21
InChIInChI=1S/C19H21N3O2/c1-14(23)22-13-15(17-7-3-4-8-18(17)22)9-10-19(24)21(2)16-6-5-11-20-12-16/h3-8,11-12,15H,9-10,13H2,1-2H3/t15-/m1/s1
InChIKeyPFJOQVDYOJVUBY-OAHLLOKOSA-N
MW323.40 g/mol
LogP2.97
Rot. Bonds4

About 3-[(3S)-1-acetyl-2,3-dihydroindol-3-yl]-N-methyl-N-pyridin-3-ylpropanamide

3-[(3S)-1-acetyl-2,3-dihydroindol-3-yl]-N-methyl-N-pyridin-3-ylpropanamide (PubChem CID 124736923) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[(3S)-1-acetyl-2,3-dihydroindol-3-yl]-N-methyl-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-[(3S)-1-acetyl-2,3-dihydroindol-3-yl]-N-methyl-N-pyridin-3-ylpropanamide
PubChem CID124736923
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-[(3S)-1-acetyl-2,3-dihydroindol-3-yl]-N-methyl-N-pyridin-3-ylpropanamide
SMILESCC(=O)N1C[C@@H](CCC(=O)N(C)c2cccnc2)c2ccccc21
InChIInChI=1S/C19H21N3O2/c1-14(23)22-13-15(17-7-3-4-8-18(17)22)9-10-19(24)21(2)16-6-5-11-20-12-16/h3-8,11-12,15H,9-10,13H2,1-2H3/t15-/m1/s1
InChIKeyPFJOQVDYOJVUBY-OAHLLOKOSA-N
XLogP2.97
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-acetyl-2,3-dihydroindol-3-yl]-N-methyl-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-[(3S)-1-acetyl-2,3-dihydroindol-3-yl]-N-methyl-N-pyridin-3-ylpropanamide (CID 124736923) is 3-[(3S)-1-acetyl-2,3-dihydroindol-3-yl]-N-methyl-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-[(3S)-1-acetyl-2,3-dihydroindol-3-yl]-N-methyl-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-[(3S)-1-acetyl-2,3-dihydroindol-3-yl]-N-methyl-N-pyridin-3-ylpropanamide is CC(=O)N1C[C@@H](CCC(=O)N(C)c2cccnc2)c2ccccc21.
What is the InChIKey of 3-[(3S)-1-acetyl-2,3-dihydroindol-3-yl]-N-methyl-N-pyridin-3-ylpropanamide?
The InChIKey is PFJOQVDYOJVUBY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14(23)22-13-15(17-7-3-4-8-18(17)22)9-10-19(24)21(2)16-6-5-11-20-12-16/h3-8,11-12,15H,9-10,13H2,1-2H3/t15-/m1/s1.
What are the key properties of 3-[(3S)-1-acetyl-2,3-dihydroindol-3-yl]-N-methyl-N-pyridin-3-ylpropanamide?
3-[(3S)-1-acetyl-2,3-dihydroindol-3-yl]-N-methyl-N-pyridin-3-ylpropanamide has a molecular weight of 323.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-acetyl-2,3-dihydroindol-3-yl]-N-methyl-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 124736923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).