[(2S,4R)-1-[6-[1-(methylamino)ethyl]pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone

C30H34N4O2 — CID 58436725

IUPAC[(2S,4R)-1-[6-[1-(methylamino)ethyl]pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone
SMILESCNC(C)c1cccc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C(=O)N2CC[C@H](c3ccccc3)C2)n1
InChIInChI=1S/C30H34N4O2/c1-21(31-2)26-14-9-15-27(32-26)29(35)34-20-25(23-12-7-4-8-13-23)18-28(34)30(36)33-17-16-24(19-33)22-10-5-3-6-11-22/h3-15,21,24-25,28,31H,16-20H2,1-2H3/t21?,24-,25-,28-/m0/s1
InChIKeyFEGXCONBKLYDSG-AMSYGKQISA-N
MW482.63 g/mol
LogP4.38
Rot. Bonds6

About [(2S,4R)-1-[6-[1-(methylamino)ethyl]pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone

[(2S,4R)-1-[6-[1-(methylamino)ethyl]pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone (PubChem CID 58436725) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is [(2S,4R)-1-[6-[1-(methylamino)ethyl]pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,4R)-1-[6-[1-(methylamino)ethyl]pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone
PubChem CID58436725
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC Name[(2S,4R)-1-[6-[1-(methylamino)ethyl]pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone
SMILESCNC(C)c1cccc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C(=O)N2CC[C@H](c3ccccc3)C2)n1
InChIInChI=1S/C30H34N4O2/c1-21(31-2)26-14-9-15-27(32-26)29(35)34-20-25(23-12-7-4-8-13-23)18-28(34)30(36)33-17-16-24(19-33)22-10-5-3-6-11-22/h3-15,21,24-25,28,31H,16-20H2,1-2H3/t21?,24-,25-,28-/m0/s1
InChIKeyFEGXCONBKLYDSG-AMSYGKQISA-N
XLogP4.38
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[6-(aminomethyl)pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 67177214
[(2S,4R)-1-[5-[1-(methylamino)ethyl]furan-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 67175286
[(2S,4R)-1-[4-[(1S)-1-aminoethyl]-1-methylimidazole-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 67386682
[(2S,4R)-1-[5-(methylaminomethyl)-1,2,4-oxadiazole-3-carbonyl]-4-phenylpyrrolidin-2-yl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone
CID 67175586
[1-[5-(1-aminoethyl)-1,3-oxazole-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 67176084
[1-[3-(1-aminoethyl)-1,2,4-oxadiazole-5-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 67175983
[6-[1-(methylamino)ethyl]piperidin-2-yl]-[(2S,4R)-4-phenyl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 67386788
[1-[2-(1-aminoethyl)-1,3-oxazole-5-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 67175806
[(2S,4R)-1-[5-(methylaminomethyl)furan-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 67175687
[(6R)-6-(1-aminoethyl)piperidin-2-yl]-[(2S,4R)-4-phenyl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 44599020
[(6S)-6-(1-aminoethyl)piperidin-2-yl]-[(2S,4R)-4-phenyl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 44599193
[6-(1-aminoethyl)-2-pyridinyl]-[2-[(3-phenylpyrrolidin-1-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methanone
CID 67177456

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-1-[6-[1-(methylamino)ethyl]pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone?
The IUPAC name of [(2S,4R)-1-[6-[1-(methylamino)ethyl]pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone (CID 58436725) is [(2S,4R)-1-[6-[1-(methylamino)ethyl]pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [(2S,4R)-1-[6-[1-(methylamino)ethyl]pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone?
The canonical SMILES for [(2S,4R)-1-[6-[1-(methylamino)ethyl]pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone is CNC(C)c1cccc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C(=O)N2CC[C@H](c3ccccc3)C2)n1.
What is the InChIKey of [(2S,4R)-1-[6-[1-(methylamino)ethyl]pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone?
The InChIKey is FEGXCONBKLYDSG-AMSYGKQISA-N. The full InChI is InChI=1S/C30H34N4O2/c1-21(31-2)26-14-9-15-27(32-26)29(35)34-20-25(23-12-7-4-8-13-23)18-28(34)30(36)33-17-16-24(19-33)22-10-5-3-6-11-22/h3-15,21,24-25,28,31H,16-20H2,1-2H3/t21?,24-,25-,28-/m0/s1.
What are the key properties of [(2S,4R)-1-[6-[1-(methylamino)ethyl]pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone?
[(2S,4R)-1-[6-[1-(methylamino)ethyl]pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone has a molecular weight of 482.63 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-1-[6-[1-(methylamino)ethyl]pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 58436725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).