(2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-pyridin-3-ylpyrrolidine-1,2-dicarboxamide

C32H33N5O3 — CID 10578261

IUPAC(2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-pyridin-3-ylpyrrolidine-1,2-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1cccnc1
InChIInChI=1S/C32H33N5O3/c1-36(22-23-9-3-2-4-10-23)31(39)28(20-24-15-16-25-11-5-6-12-26(25)19-24)35-30(38)29-14-8-18-37(29)32(40)34-27-13-7-17-33-21-27/h2-7,9-13,15-17,19,21,28-29H,8,14,18,20,22H2,1H3,(H,34,40)(H,35,38)/t28-,29-/m0/s1
InChIKeyPZHALDXTORCWTC-VMPREFPWSA-N
MW535.65 g/mol
LogP4.62
Rot. Bonds8

About (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-pyridin-3-ylpyrrolidine-1,2-dicarboxamide

(2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-pyridin-3-ylpyrrolidine-1,2-dicarboxamide (PubChem CID 10578261) has the molecular formula C32H33N5O3 and a molecular weight of 535.65 g/mol. Its IUPAC name is (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-pyridin-3-ylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-pyridin-3-ylpyrrolidine-1,2-dicarboxamide
PubChem CID10578261
Molecular FormulaC32H33N5O3
Molecular Weight535.65 g/mol
Exact Mass535.26
IUPAC Name(2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-pyridin-3-ylpyrrolidine-1,2-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1cccnc1
InChIInChI=1S/C32H33N5O3/c1-36(22-23-9-3-2-4-10-23)31(39)28(20-24-15-16-25-11-5-6-12-26(25)19-24)35-30(38)29-14-8-18-37(29)32(40)34-27-13-7-17-33-21-27/h2-7,9-13,15-17,19,21,28-29H,8,14,18,20,22H2,1H3,(H,34,40)(H,35,38)/t28-,29-/m0/s1
InChIKeyPZHALDXTORCWTC-VMPREFPWSA-N
XLogP4.62
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.65
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-pyridin-3-ylpyrrolidine-1,2-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-pyridin-3-ylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-pyridin-3-ylpyrrolidine-1,2-dicarboxamide (CID 10578261) is (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-pyridin-3-ylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-pyridin-3-ylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-pyridin-3-ylpyrrolidine-1,2-dicarboxamide is CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1cccnc1.
What is the InChIKey of (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-pyridin-3-ylpyrrolidine-1,2-dicarboxamide?
The InChIKey is PZHALDXTORCWTC-VMPREFPWSA-N. The full InChI is InChI=1S/C32H33N5O3/c1-36(22-23-9-3-2-4-10-23)31(39)28(20-24-15-16-25-11-5-6-12-26(25)19-24)35-30(38)29-14-8-18-37(29)32(40)34-27-13-7-17-33-21-27/h2-7,9-13,15-17,19,21,28-29H,8,14,18,20,22H2,1H3,(H,34,40)(H,35,38)/t28-,29-/m0/s1.
What are the key properties of (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-pyridin-3-ylpyrrolidine-1,2-dicarboxamide?
(2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-pyridin-3-ylpyrrolidine-1,2-dicarboxamide has a molecular weight of 535.65 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-pyridin-3-ylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 10578261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).