3-(1H-indol-3-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one

C20H22N4O — CID 53185359

IUPAC3-(1H-indol-3-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCC(Nc2cccnc2)C1
InChIInChI=1S/C20H22N4O/c25-20(8-7-15-12-22-19-6-2-1-5-18(15)19)24-11-9-17(14-24)23-16-4-3-10-21-13-16/h1-6,10,12-13,17,22-23H,7-9,11,14H2
InChIKeyHTSGGNWVGYKSRY-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.21
Rot. Bonds5

About 3-(1H-indol-3-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one

3-(1H-indol-3-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one (PubChem CID 53185359) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
PubChem CID53185359
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-(1H-indol-3-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCC(Nc2cccnc2)C1
InChIInChI=1S/C20H22N4O/c25-20(8-7-15-12-22-19-6-2-1-5-18(15)19)24-11-9-17(14-24)23-16-4-3-10-21-13-16/h1-6,10,12-13,17,22-23H,7-9,11,14H2
InChIKeyHTSGGNWVGYKSRY-UHFFFAOYSA-N
XLogP3.21
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 95107492
1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one
CID 47051691
3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one
CID 155983427
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 103900607
N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 53185412
2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
CID 95107482
2-cyclopentyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
CID 95107481
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
3-(1H-indol-3-yl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 64598046
3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
CID 124952727
1-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(1H-indol-3-yl)propan-1-one
CID 94061393
1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(1H-indol-3-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one (CID 53185359) is 3-(1H-indol-3-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(1H-indol-3-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one is O=C(CCc1c[nH]c2ccccc12)N1CCC(Nc2cccnc2)C1.
What is the InChIKey of 3-(1H-indol-3-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one?
The InChIKey is HTSGGNWVGYKSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-20(8-7-15-12-22-19-6-2-1-5-18(15)19)24-11-9-17(14-24)23-16-4-3-10-21-13-16/h1-6,10,12-13,17,22-23H,7-9,11,14H2.
What are the key properties of 3-(1H-indol-3-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one?
3-(1H-indol-3-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one has a molecular weight of 334.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 53185359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).