[1-[6-(aminomethyl)pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone

C28H30N4O2 — CID 67177214

IUPAC[1-[6-(aminomethyl)pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone
SMILESNCc1cccc(C(=O)N2CC(c3ccccc3)CC2C(=O)N2CCC(c3ccccc3)C2)n1
InChIInChI=1S/C28H30N4O2/c29-17-24-12-7-13-25(30-24)27(33)32-19-23(21-10-5-2-6-11-21)16-26(32)28(34)31-15-14-22(18-31)20-8-3-1-4-9-20/h1-13,22-23,26H,14-19,29H2
InChIKeyFPAFOZDFGOKKOM-UHFFFAOYSA-N
MW454.57 g/mol
LogP3.55
Rot. Bonds5

About [1-[6-(aminomethyl)pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone

[1-[6-(aminomethyl)pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 67177214) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is [1-[6-(aminomethyl)pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[6-(aminomethyl)pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone
PubChem CID67177214
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name[1-[6-(aminomethyl)pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone
SMILESNCc1cccc(C(=O)N2CC(c3ccccc3)CC2C(=O)N2CCC(c3ccccc3)C2)n1
InChIInChI=1S/C28H30N4O2/c29-17-24-12-7-13-25(30-24)27(33)32-19-23(21-10-5-2-6-11-21)16-26(32)28(34)31-15-14-22(18-31)20-8-3-1-4-9-20/h1-13,22-23,26H,14-19,29H2
InChIKeyFPAFOZDFGOKKOM-UHFFFAOYSA-N
XLogP3.55
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,4R)-1-[6-[1-(methylamino)ethyl]pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone
CID 58436725
[(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
[(2S,4R)-1-[4-[(1S)-1-aminoethyl]-1-methylimidazole-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 67386682
[1-[3-(1-aminoethyl)-1,2,4-oxadiazole-5-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 67175983
[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
[6-(aminomethyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 82506917
[(2S,4R)-1-[5-[1-(methylamino)ethyl]furan-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 67175286
[(6S)-6-(1-aminoethyl)piperidin-2-yl]-[(2S,4R)-4-phenyl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 44599193
[(6R)-6-(1-aminoethyl)piperidin-2-yl]-[(2S,4R)-4-phenyl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 44599020
[6-[(2,4-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
CID 58210845

Frequently Asked Questions

What is the IUPAC name of [1-[6-(aminomethyl)pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-[6-(aminomethyl)pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone (CID 67177214) is [1-[6-(aminomethyl)pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-[6-(aminomethyl)pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-[6-(aminomethyl)pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone is NCc1cccc(C(=O)N2CC(c3ccccc3)CC2C(=O)N2CCC(c3ccccc3)C2)n1.
What is the InChIKey of [1-[6-(aminomethyl)pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is FPAFOZDFGOKKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c29-17-24-12-7-13-25(30-24)27(33)32-19-23(21-10-5-2-6-11-21)16-26(32)28(34)31-15-14-22(18-31)20-8-3-1-4-9-20/h1-13,22-23,26H,14-19,29H2.
What are the key properties of [1-[6-(aminomethyl)pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone?
[1-[6-(aminomethyl)pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 454.57 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(aminomethyl)pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 67177214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).