[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone

C16H25N3O — CID 72851131

IUPAC[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)N1C[C@@H](N(C)C)[C@H](C(C)C)C1
InChIInChI=1S/C16H25N3O/c1-11(2)14-9-19(10-15(14)18(4)5)16(20)13-7-6-8-17-12(13)3/h6-8,11,14-15H,9-10H2,1-5H3/t14-,15+/m0/s1
InChIKeyAGYZOYDFEOBEMP-LSDHHAIUSA-N
MW275.40 g/mol
LogP2.05
Rot. Bonds3

About [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone

[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone (PubChem CID 72851131) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
PubChem CID72851131
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)N1C[C@@H](N(C)C)[C@H](C(C)C)C1
InChIInChI=1S/C16H25N3O/c1-11(2)14-9-19(10-15(14)18(4)5)16(20)13-7-6-8-17-12(13)3/h6-8,11,14-15H,9-10H2,1-5H3/t14-,15+/m0/s1
InChIKeyAGYZOYDFEOBEMP-LSDHHAIUSA-N
XLogP2.05
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone with MolForge

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Related Compounds

[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 72900733
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 72936361
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 112630543
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 72919853
(2-chloro-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 79026054
(8-chloro-2-methylquinolin-4-yl)-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methanone
CID 72840919
(2,3-difluoro-4-methoxyphenyl)-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methanone
CID 72896235
(2-amino-3-pyridinyl)-[3-(dimethylamino)azetidin-1-yl]methanone
CID 171527020
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 110107959
4-[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]benzonitrile
CID 72895460
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 120813989
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(1H-indol-6-yl)methanone
CID 72848895

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone?
The IUPAC name of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone (CID 72851131) is [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone?
The canonical SMILES for [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone is Cc1ncccc1C(=O)N1C[C@@H](N(C)C)[C@H](C(C)C)C1.
What is the InChIKey of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone?
The InChIKey is AGYZOYDFEOBEMP-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11(2)14-9-19(10-15(14)18(4)5)16(20)13-7-6-8-17-12(13)3/h6-8,11,14-15H,9-10H2,1-5H3/t14-,15+/m0/s1.
What are the key properties of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone?
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone has a molecular weight of 275.40 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 72851131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).