1,3-dipyridin-4-yl-1,3-dipyrrolidin-1-ylpropan-2-one

C21H26N4O — CID 170562474

IUPAC1,3-dipyridin-4-yl-1,3-dipyrrolidin-1-ylpropan-2-one
SMILESO=C(C(c1ccncc1)N1CCCC1)C(c1ccncc1)N1CCCC1
InChIInChI=1S/C21H26N4O/c26-21(19(24-13-1-2-14-24)17-5-9-22-10-6-17)20(25-15-3-4-16-25)18-7-11-23-12-8-18/h5-12,19-20H,1-4,13-16H2
InChIKeyBCUBEJHCEHTVGI-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.02
Rot. Bonds6

About 1,3-dipyridin-4-yl-1,3-dipyrrolidin-1-ylpropan-2-one

1,3-dipyridin-4-yl-1,3-dipyrrolidin-1-ylpropan-2-one (PubChem CID 170562474) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1,3-dipyridin-4-yl-1,3-dipyrrolidin-1-ylpropan-2-one.

Molecular Properties

Compound Name1,3-dipyridin-4-yl-1,3-dipyrrolidin-1-ylpropan-2-one
PubChem CID170562474
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1,3-dipyridin-4-yl-1,3-dipyrrolidin-1-ylpropan-2-one
SMILESO=C(C(c1ccncc1)N1CCCC1)C(c1ccncc1)N1CCCC1
InChIInChI=1S/C21H26N4O/c26-21(19(24-13-1-2-14-24)17-5-9-22-10-6-17)20(25-15-3-4-16-25)18-7-11-23-12-8-18/h5-12,19-20H,1-4,13-16H2
InChIKeyBCUBEJHCEHTVGI-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid
CID 95359616
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CID 25219323
4-[(1S)-1-piperidin-1-ylethyl]pyridine
CID 11286966
2-morpholin-4-yl-2-pyridin-4-ylacetohydrazide
CID 46318243
(3S)-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one
CID 143270082
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
ethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate
CID 124585393
1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
CID 116860071
1-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone
CID 83980013
1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid
CID 3536798
(2S)-2-piperidin-1-yl-2-pyridin-4-ylethanamine
CID 39254713
1,3-di(cycloheptyl)-1,3-dipyridin-4-ylpropan-2-one
CID 154169625

Frequently Asked Questions

What is the IUPAC name of 1,3-dipyridin-4-yl-1,3-dipyrrolidin-1-ylpropan-2-one?
The IUPAC name of 1,3-dipyridin-4-yl-1,3-dipyrrolidin-1-ylpropan-2-one (CID 170562474) is 1,3-dipyridin-4-yl-1,3-dipyrrolidin-1-ylpropan-2-one.
What is the SMILES notation for 1,3-dipyridin-4-yl-1,3-dipyrrolidin-1-ylpropan-2-one?
The canonical SMILES for 1,3-dipyridin-4-yl-1,3-dipyrrolidin-1-ylpropan-2-one is O=C(C(c1ccncc1)N1CCCC1)C(c1ccncc1)N1CCCC1.
What is the InChIKey of 1,3-dipyridin-4-yl-1,3-dipyrrolidin-1-ylpropan-2-one?
The InChIKey is BCUBEJHCEHTVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21(19(24-13-1-2-14-24)17-5-9-22-10-6-17)20(25-15-3-4-16-25)18-7-11-23-12-8-18/h5-12,19-20H,1-4,13-16H2.
What are the key properties of 1,3-dipyridin-4-yl-1,3-dipyrrolidin-1-ylpropan-2-one?
1,3-dipyridin-4-yl-1,3-dipyrrolidin-1-ylpropan-2-one has a molecular weight of 350.47 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipyridin-4-yl-1,3-dipyrrolidin-1-ylpropan-2-one is sourced from PubChem (CID 170562474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).