[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone

C19H23N5O — CID 109203677

IUPAC[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(N2CCN(c3ccccn3)CC2)ccn1)N1CCCC1
InChIInChI=1S/C19H23N5O/c25-19(24-9-3-4-10-24)17-15-16(6-8-20-17)22-11-13-23(14-12-22)18-5-1-2-7-21-18/h1-2,5-8,15H,3-4,9-14H2
InChIKeyXRUARXBPLBRXMK-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.04
Rot. Bonds3

About [4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone

[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 109203677) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is [4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID109203677
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(N2CCN(c3ccccn3)CC2)ccn1)N1CCCC1
InChIInChI=1S/C19H23N5O/c25-19(24-9-3-4-10-24)17-15-16(6-8-20-17)22-11-13-23(14-12-22)18-5-1-2-7-21-18/h1-2,5-8,15H,3-4,9-14H2
InChIKeyXRUARXBPLBRXMK-UHFFFAOYSA-N
XLogP2.04
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-pyridin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203865
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804
[4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109216212
[2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363662
4-[2-(azepane-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
CID 109208915
piperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109298462
[4-(propan-2-ylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109201553
2,3-dihydroindol-1-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109216263
[4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204404
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556

Frequently Asked Questions

What is the IUPAC name of [4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 109203677) is [4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1cc(N2CCN(c3ccccn3)CC2)ccn1)N1CCCC1.
What is the InChIKey of [4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is XRUARXBPLBRXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c25-19(24-9-3-4-10-24)17-15-16(6-8-20-17)22-11-13-23(14-12-22)18-5-1-2-7-21-18/h1-2,5-8,15H,3-4,9-14H2.
What are the key properties of [4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 337.43 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109203677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).