N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-thiomorpholin-3-ylacetamide

C20H22N4O2S — CID 119942245

IUPACN-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1
InChIInChI=1S/C20H22N4O2S/c25-19(11-17-13-27-9-7-22-17)23-16-3-4-18-14(10-16)5-8-24(18)20(26)15-2-1-6-21-12-15/h1-4,6,10,12,17,22H,5,7-9,11,13H2,(H,23,25)
InChIKeyLAQOAGCWPVUVBA-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.32
Rot. Bonds4

About N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-thiomorpholin-3-ylacetamide

N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119942245) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-thiomorpholin-3-ylacetamide
PubChem CID119942245
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1
InChIInChI=1S/C20H22N4O2S/c25-19(11-17-13-27-9-7-22-17)23-16-3-4-18-14(10-16)5-8-24(18)20(26)15-2-1-6-21-12-15/h1-4,6,10,12,17,22H,5,7-9,11,13H2,(H,23,25)
InChIKeyLAQOAGCWPVUVBA-UHFFFAOYSA-N
XLogP2.32
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-thiomorpholin-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938232
2-amino-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 119888320
N-pyridin-3-yl-4-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 119941075
(2S,4S)-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]piperidine-4-carboxamide;hydrochloride
CID 120636790
3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 110303864
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]acetamide
CID 110623427
2-amino-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]acetamide
CID 22689805
cis-(1R,3S)-2,2-dimethyl-3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 95391406
3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]amino]-1,2-dihydropyrrol-5-one
CID 125431268
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 112506085
4,5-dimethyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-indole-2-carboxamide
CID 86963920
4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 112505958

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-thiomorpholin-3-ylacetamide (CID 119942245) is N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1.
What is the InChIKey of N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is LAQOAGCWPVUVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c25-19(11-17-13-27-9-7-22-17)23-16-3-4-18-14(10-16)5-8-24(18)20(26)15-2-1-6-21-12-15/h1-4,6,10,12,17,22H,5,7-9,11,13H2,(H,23,25).
What are the key properties of N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-thiomorpholin-3-ylacetamide?
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 382.49 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119942245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).