[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone

C19H23N3O2 — CID 120747678

IUPAC[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
SMILESCC(C)Oc1cccnc1C(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C19H23N3O2/c1-13(2)24-17-9-6-10-21-18(17)19(23)22-11-15(16(20)12-22)14-7-4-3-5-8-14/h3-10,13,15-16H,11-12,20H2,1-2H3/t15-,16+/m0/s1
InChIKeyFHFUELQARZXRKC-JKSUJKDBSA-N
MW325.41 g/mol
LogP2.44
Rot. Bonds4

About [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone

[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone (PubChem CID 120747678) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
PubChem CID120747678
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
SMILESCC(C)Oc1cccnc1C(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C19H23N3O2/c1-13(2)24-17-9-6-10-21-18(17)19(23)22-11-15(16(20)12-22)14-7-4-3-5-8-14/h3-10,13,15-16H,11-12,20H2,1-2H3/t15-,16+/m0/s1
InChIKeyFHFUELQARZXRKC-JKSUJKDBSA-N
XLogP2.44
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-ethoxy-2-pyridinyl)methanone
CID 120744983
1-(3-propan-2-yloxypyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 119349625
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-propan-2-yloxyphenyl)methanone
CID 120742441
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
CID 110023160
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone;dihydrochloride
CID 120743401
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2,3-dimethylbutan-1-one
CID 120746721
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone
CID 120748136
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 120750346
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone;dihydrochloride
CID 120806144
1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]ethanone;hydrochloride
CID 120746934
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 120746552
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 120746910

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone?
The IUPAC name of [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone (CID 120747678) is [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone.
What is the SMILES notation for [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone?
The canonical SMILES for [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone is CC(C)Oc1cccnc1C(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1.
What is the InChIKey of [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone?
The InChIKey is FHFUELQARZXRKC-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(2)24-17-9-6-10-21-18(17)19(23)22-11-15(16(20)12-22)14-7-4-3-5-8-14/h3-10,13,15-16H,11-12,20H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone?
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone has a molecular weight of 325.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone is sourced from PubChem (CID 120747678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).