pyrrolidin-1-yl-[6-[4-[2-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-pyridinyl]methanone

C25H31N3O — CID 68849793

IUPACpyrrolidin-1-yl-[6-[4-[2-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-pyridinyl]methanone
SMILESO=C(c1ccc(-c2ccc(C3CC3CCN3CCCC3)cc2)nc1)N1CCCC1
InChIInChI=1S/C25H31N3O/c29-25(28-14-3-4-15-28)22-9-10-24(26-18-22)20-7-5-19(6-8-20)23-17-21(23)11-16-27-12-1-2-13-27/h5-10,18,21,23H,1-4,11-17H2
InChIKeyDCTZPLPFEHFKBY-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.57
Rot. Bonds6

About pyrrolidin-1-yl-[6-[4-[2-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-pyridinyl]methanone

pyrrolidin-1-yl-[6-[4-[2-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-pyridinyl]methanone (PubChem CID 68849793) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is pyrrolidin-1-yl-[6-[4-[2-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-pyridinyl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[6-[4-[2-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-pyridinyl]methanone
PubChem CID68849793
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Namepyrrolidin-1-yl-[6-[4-[2-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-pyridinyl]methanone
SMILESO=C(c1ccc(-c2ccc(C3CC3CCN3CCCC3)cc2)nc1)N1CCCC1
InChIInChI=1S/C25H31N3O/c29-25(28-14-3-4-15-28)22-9-10-24(26-18-22)20-7-5-19(6-8-20)23-17-21(23)11-16-27-12-1-2-13-27/h5-10,18,21,23H,1-4,11-17H2
InChIKeyDCTZPLPFEHFKBY-UHFFFAOYSA-N
XLogP4.57
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3931667
piperidin-1-yl-(6-thiophen-3-yl-3-pyridinyl)methanone
CID 53014233
4-[4-[(1S,2R)-2-[2-(azepan-1-yl)ethyl]cyclopropyl]phenyl]benzonitrile
CID 24781278
[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56862935
(3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone
CID 110683661
6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 53035860
[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3487323
[6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 95399160
1-[(3R)-1-[6-[4-(aminomethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95486329
4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde
CID 110683635
(4-piperidin-1-ylpiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 71841618
[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
CID 20959362

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[6-[4-[2-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-pyridinyl]methanone?
The IUPAC name of pyrrolidin-1-yl-[6-[4-[2-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-pyridinyl]methanone (CID 68849793) is pyrrolidin-1-yl-[6-[4-[2-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-pyridinyl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[6-[4-[2-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-pyridinyl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[6-[4-[2-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-pyridinyl]methanone is O=C(c1ccc(-c2ccc(C3CC3CCN3CCCC3)cc2)nc1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[6-[4-[2-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-pyridinyl]methanone?
The InChIKey is DCTZPLPFEHFKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c29-25(28-14-3-4-15-28)22-9-10-24(26-18-22)20-7-5-19(6-8-20)23-17-21(23)11-16-27-12-1-2-13-27/h5-10,18,21,23H,1-4,11-17H2.
What are the key properties of pyrrolidin-1-yl-[6-[4-[2-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-pyridinyl]methanone?
pyrrolidin-1-yl-[6-[4-[2-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-pyridinyl]methanone has a molecular weight of 389.54 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[6-[4-[2-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-pyridinyl]methanone is sourced from PubChem (CID 68849793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).