pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone

C14H19N3O — CID 10776780

IUPACpyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
SMILESO=C(c1cc(N2CCCC2)ccn1)N1CCCC1
InChIInChI=1S/C14H19N3O/c18-14(17-9-3-4-10-17)13-11-12(5-6-15-13)16-7-1-2-8-16/h5-6,11H,1-4,7-10H2
InChIKeyXUUDJPQFHOUJKC-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.92
Rot. Bonds2

About pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone

pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone (PubChem CID 10776780) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
PubChem CID10776780
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Namepyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
SMILESO=C(c1cc(N2CCCC2)ccn1)N1CCCC1
InChIInChI=1S/C14H19N3O/c18-14(17-9-3-4-10-17)13-11-12(5-6-15-13)16-7-1-2-8-16/h5-6,11H,1-4,7-10H2
InChIKeyXUUDJPQFHOUJKC-UHFFFAOYSA-N
XLogP1.92
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804
1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209058
[4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204404
4-[2-(azepane-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
CID 109208915
[4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205143
[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204371
azepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109208613
[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203677
(3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203878
(4-pyridin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203865
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203696

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone?
The IUPAC name of pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone (CID 10776780) is pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone.
What is the SMILES notation for pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone?
The canonical SMILES for pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone is O=C(c1cc(N2CCCC2)ccn1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone?
The InChIKey is XUUDJPQFHOUJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14(17-9-3-4-10-17)13-11-12(5-6-15-13)16-7-1-2-8-16/h5-6,11H,1-4,7-10H2.
What are the key properties of pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone?
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone has a molecular weight of 245.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone is sourced from PubChem (CID 10776780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).