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

C16H25N3O2 — CID 72919853

IUPAC[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
SMILESCOc1cc(C(=O)N2C[C@@H](N(C)C)[C@H](C(C)C)C2)ccn1
InChIInChI=1S/C16H25N3O2/c1-11(2)13-9-19(10-14(13)18(3)4)16(20)12-6-7-17-15(8-12)21-5/h6-8,11,13-14H,9-10H2,1-5H3/t13-,14+/m0/s1
InChIKeyAZVCWWJWXWELRY-UONOGXRCSA-N
MW291.40 g/mol
LogP1.75
Rot. Bonds4

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

[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone (PubChem CID 72919853) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
PubChem CID72919853
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
SMILESCOc1cc(C(=O)N2C[C@@H](N(C)C)[C@H](C(C)C)C2)ccn1
InChIInChI=1S/C16H25N3O2/c1-11(2)13-9-19(10-14(13)18(3)4)16(20)12-6-7-17-15(8-12)21-5/h6-8,11,13-14H,9-10H2,1-5H3/t13-,14+/m0/s1
InChIKeyAZVCWWJWXWELRY-UONOGXRCSA-N
XLogP1.75
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methoxypyridine
CID 156606755
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 72900733
[(3aS,5R,6R,7aR)-5-(dimethylamino)-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2-methoxy-4-pyridinyl)methanone;formic acid
CID 172913168
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone
CID 72846247
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(1H-indol-6-yl)methanone
CID 72848895
4-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
CID 72902347
1-(2-methoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 84580487
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 72851131
(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200428
4-[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]benzonitrile
CID 72895460
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
CID 72838310
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 129492955

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone?
The IUPAC name of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone (CID 72919853) is [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone.
What is the SMILES notation for [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone?
The canonical SMILES for [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone is COc1cc(C(=O)N2C[C@@H](N(C)C)[C@H](C(C)C)C2)ccn1.
What is the InChIKey of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone?
The InChIKey is AZVCWWJWXWELRY-UONOGXRCSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)13-9-19(10-14(13)18(3)4)16(20)12-6-7-17-15(8-12)21-5/h6-8,11,13-14H,9-10H2,1-5H3/t13-,14+/m0/s1.
What are the key properties of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone?
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone has a molecular weight of 291.40 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone is sourced from PubChem (CID 72919853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).