phenyl-[(3S)-3-[[[(S)-phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone

C24H25N3O — CID 100748164

IUPACphenyl-[(3S)-3-[[[(S)-phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CC[C@@H](CN[C@@H](c2ccccc2)c2ccccn2)C1
InChIInChI=1S/C24H25N3O/c28-24(21-11-5-2-6-12-21)27-16-14-19(18-27)17-26-23(20-9-3-1-4-10-20)22-13-7-8-15-25-22/h1-13,15,19,23,26H,14,16-18H2/t19-,23-/m0/s1
InChIKeyFBOGFRDZMNOUJC-CVDCTZTESA-N
MW371.48 g/mol
LogP3.92
Rot. Bonds6

About phenyl-[(3S)-3-[[[(S)-phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone

phenyl-[(3S)-3-[[[(S)-phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone (PubChem CID 100748164) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is phenyl-[(3S)-3-[[[(S)-phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[(3S)-3-[[[(S)-phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone
PubChem CID100748164
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Namephenyl-[(3S)-3-[[[(S)-phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CC[C@@H](CN[C@@H](c2ccccc2)c2ccccn2)C1
InChIInChI=1S/C24H25N3O/c28-24(21-11-5-2-6-12-21)27-16-14-19(18-27)17-26-23(20-9-3-1-4-10-20)22-13-7-8-15-25-22/h1-13,15,19,23,26H,14,16-18H2/t19-,23-/m0/s1
InChIKeyFBOGFRDZMNOUJC-CVDCTZTESA-N
XLogP3.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 126471673
1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine
CID 115971963
3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 110894997
N-(1-acetylpiperidin-4-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 86911597
methyl (3R)-3-[[(S)-phenyl(pyridin-2-yl)methyl]amino]pyrrolidine-1-carboxylate
CID 99781986
phenyl-[(3R)-3-[[[(1S)-1-thiophen-2-ylpropyl]amino]methyl]pyrrolidin-1-yl]methanone
CID 124738417
phenyl-[3-[(1-thiophen-2-ylpropylamino)methyl]pyrrolidin-1-yl]methanone
CID 119051883
N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 126475743
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]ethanone
CID 86908876
N-[(2,2-dimethylcyclopropyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 103949198
2-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 60921142
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119542048

Frequently Asked Questions

What is the IUPAC name of phenyl-[(3S)-3-[[[(S)-phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of phenyl-[(3S)-3-[[[(S)-phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone (CID 100748164) is phenyl-[(3S)-3-[[[(S)-phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for phenyl-[(3S)-3-[[[(S)-phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for phenyl-[(3S)-3-[[[(S)-phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone is O=C(c1ccccc1)N1CC[C@@H](CN[C@@H](c2ccccc2)c2ccccn2)C1.
What is the InChIKey of phenyl-[(3S)-3-[[[(S)-phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is FBOGFRDZMNOUJC-CVDCTZTESA-N. The full InChI is InChI=1S/C24H25N3O/c28-24(21-11-5-2-6-12-21)27-16-14-19(18-27)17-26-23(20-9-3-1-4-10-20)22-13-7-8-15-25-22/h1-13,15,19,23,26H,14,16-18H2/t19-,23-/m0/s1.
What are the key properties of phenyl-[(3S)-3-[[[(S)-phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone?
phenyl-[(3S)-3-[[[(S)-phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 371.48 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(3S)-3-[[[(S)-phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 100748164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).