(3-methylpyrrolidin-2-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

C15H21N3O — CID 102777436

IUPAC(3-methylpyrrolidin-2-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCC1CCNC1C(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C15H21N3O/c1-11-6-8-17-14(11)15(19)18-9-3-5-13(18)12-4-2-7-16-10-12/h2,4,7,10-11,13-14,17H,3,5-6,8-9H2,1H3
InChIKeyYXWOGAVCNVTEPE-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.74
Rot. Bonds2

About (3-methylpyrrolidin-2-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

(3-methylpyrrolidin-2-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 102777436) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (3-methylpyrrolidin-2-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methylpyrrolidin-2-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID102777436
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(3-methylpyrrolidin-2-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCC1CCNC1C(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C15H21N3O/c1-11-6-8-17-14(11)15(19)18-9-3-5-13(18)12-4-2-7-16-10-12/h2,4,7,10-11,13-14,17H,3,5-6,8-9H2,1H3
InChIKeyYXWOGAVCNVTEPE-UHFFFAOYSA-N
XLogP1.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylpyrrolidin-2-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 102777441
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691
2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid
CID 65302628
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
(E)-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)but-2-enoic acid
CID 43578410
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
2-bromo-1-(2-pyridin-3-ylpyrrolidin-1-yl)butan-1-one
CID 55125872
(E)-3-(4-fluorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)prop-2-en-1-one
CID 42923748

Frequently Asked Questions

What is the IUPAC name of (3-methylpyrrolidin-2-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-methylpyrrolidin-2-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 102777436) is (3-methylpyrrolidin-2-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-methylpyrrolidin-2-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-methylpyrrolidin-2-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is CC1CCNC1C(=O)N1CCCC1c1cccnc1.
What is the InChIKey of (3-methylpyrrolidin-2-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is YXWOGAVCNVTEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-6-8-17-14(11)15(19)18-9-3-5-13(18)12-4-2-7-16-10-12/h2,4,7,10-11,13-14,17H,3,5-6,8-9H2,1H3.
What are the key properties of (3-methylpyrrolidin-2-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
(3-methylpyrrolidin-2-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 259.35 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrrolidin-2-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 102777436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).