3-(1H-indol-2-yl)-4-(3-morpholin-4-ylpropylamino)-1H-pyridin-2-one

C20H24N4O2 — CID 24957198

IUPAC3-(1H-indol-2-yl)-4-(3-morpholin-4-ylpropylamino)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(NCCCN2CCOCC2)c1-c1cc2ccccc2[nH]1
InChIInChI=1S/C20H24N4O2/c25-20-19(18-14-15-4-1-2-5-16(15)23-18)17(6-8-22-20)21-7-3-9-24-10-12-26-13-11-24/h1-2,4-6,8,14,23H,3,7,9-13H2,(H2,21,22,25)
InChIKeyPLHZREVYGYEPPU-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.66
Rot. Bonds6

About 3-(1H-indol-2-yl)-4-(3-morpholin-4-ylpropylamino)-1H-pyridin-2-one

3-(1H-indol-2-yl)-4-(3-morpholin-4-ylpropylamino)-1H-pyridin-2-one (PubChem CID 24957198) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-(1H-indol-2-yl)-4-(3-morpholin-4-ylpropylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(1H-indol-2-yl)-4-(3-morpholin-4-ylpropylamino)-1H-pyridin-2-one
PubChem CID24957198
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-(1H-indol-2-yl)-4-(3-morpholin-4-ylpropylamino)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(NCCCN2CCOCC2)c1-c1cc2ccccc2[nH]1
InChIInChI=1S/C20H24N4O2/c25-20-19(18-14-15-4-1-2-5-16(15)23-18)17(6-8-22-20)21-7-3-9-24-10-12-26-13-11-24/h1-2,4-6,8,14,23H,3,7,9-13H2,(H2,21,22,25)
InChIKeyPLHZREVYGYEPPU-UHFFFAOYSA-N
XLogP2.66
TPSA73.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1H-indol-2-yl-[2-(3-morpholin-4-ylpropylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 142576423
3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one
CID 115656848
5-(1H-indol-2-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine
CID 135879429
(2R)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 92503660
2-morpholin-4-yl-N-(2-oxo-1H-quinolin-3-yl)acetamide
CID 141167893
N-(2-morpholin-4-ylethyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 53174593
ethane;1-fluoro-4-(3-morpholin-4-ylpropylamino)anthracene-9,10-dione
CID 144958240
3-[(morpholin-4-ylamino)methyl]-1H-quinolin-2-one
CID 83011373
1-[[(2S)-3-chloro-2-hydroxypropyl]amino]-4-(3-morpholin-4-ylpropylamino)anthracene-9,10-dione
CID 118498985
N-(2-morpholin-4-ylethyl)-1H-indol-5-amine
CID 82539146
4-bromo-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
CID 43348214
3-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)ethyl]propane-1-sulfonamide
CID 118724844

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-yl)-4-(3-morpholin-4-ylpropylamino)-1H-pyridin-2-one?
The IUPAC name of 3-(1H-indol-2-yl)-4-(3-morpholin-4-ylpropylamino)-1H-pyridin-2-one (CID 24957198) is 3-(1H-indol-2-yl)-4-(3-morpholin-4-ylpropylamino)-1H-pyridin-2-one.
What is the SMILES notation for 3-(1H-indol-2-yl)-4-(3-morpholin-4-ylpropylamino)-1H-pyridin-2-one?
The canonical SMILES for 3-(1H-indol-2-yl)-4-(3-morpholin-4-ylpropylamino)-1H-pyridin-2-one is O=c1[nH]ccc(NCCCN2CCOCC2)c1-c1cc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-indol-2-yl)-4-(3-morpholin-4-ylpropylamino)-1H-pyridin-2-one?
The InChIKey is PLHZREVYGYEPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-20-19(18-14-15-4-1-2-5-16(15)23-18)17(6-8-22-20)21-7-3-9-24-10-12-26-13-11-24/h1-2,4-6,8,14,23H,3,7,9-13H2,(H2,21,22,25).
What are the key properties of 3-(1H-indol-2-yl)-4-(3-morpholin-4-ylpropylamino)-1H-pyridin-2-one?
3-(1H-indol-2-yl)-4-(3-morpholin-4-ylpropylamino)-1H-pyridin-2-one has a molecular weight of 352.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-yl)-4-(3-morpholin-4-ylpropylamino)-1H-pyridin-2-one is sourced from PubChem (CID 24957198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).