N-[(1S)-3-[[(1S)-1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]-4-phenylpyridine-2-carboxamide

C33H34N4O5 — CID 58685747

IUPACN-[(1S)-3-[[(1S)-1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]-4-phenylpyridine-2-carboxamide
SMILESC[C@@H]1C(=O)NC(=O)[C@H]1C(=O)[C@@H](NC(=O)C[C@H](NC(=O)c1cc(-c2ccccc2)ccn1)c1ccccc1)C1CCCC1
InChIInChI=1S/C33H34N4O5/c1-20-28(33(42)37-31(20)40)30(39)29(23-14-8-9-15-23)36-27(38)19-25(22-12-6-3-7-13-22)35-32(41)26-18-24(16-17-34-26)21-10-4-2-5-11-21/h2-7,10-13,16-18,20,23,25,28-29H,8-9,14-15,19H2,1H3,(H,35,41)(H,36,38)(H,37,40,42)/t20-,25-,28+,29-/m0/s1
InChIKeyFKMSHQOYIBLSEL-ZUVRJUTJSA-N
MW566.66 g/mol
LogP3.76
Rot. Bonds10

About N-[(1S)-3-[[(1S)-1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]-4-phenylpyridine-2-carboxamide

N-[(1S)-3-[[(1S)-1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]-4-phenylpyridine-2-carboxamide (PubChem CID 58685747) has the molecular formula C33H34N4O5 and a molecular weight of 566.66 g/mol. Its IUPAC name is N-[(1S)-3-[[(1S)-1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]-4-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-[[(1S)-1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]-4-phenylpyridine-2-carboxamide
PubChem CID58685747
Molecular FormulaC33H34N4O5
Molecular Weight566.66 g/mol
Exact Mass566.25
IUPAC NameN-[(1S)-3-[[(1S)-1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]-4-phenylpyridine-2-carboxamide
SMILESC[C@@H]1C(=O)NC(=O)[C@H]1C(=O)[C@@H](NC(=O)C[C@H](NC(=O)c1cc(-c2ccccc2)ccn1)c1ccccc1)C1CCCC1
InChIInChI=1S/C33H34N4O5/c1-20-28(33(42)37-31(20)40)30(39)29(23-14-8-9-15-23)36-27(38)19-25(22-12-6-3-7-13-22)35-32(41)26-18-24(16-17-34-26)21-10-4-2-5-11-21/h2-7,10-13,16-18,20,23,25,28-29H,8-9,14-15,19H2,1H3,(H,35,41)(H,36,38)(H,37,40,42)/t20-,25-,28+,29-/m0/s1
InChIKeyFKMSHQOYIBLSEL-ZUVRJUTJSA-N
XLogP3.76
TPSA134.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.66
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[(1S)-3-[[(1S)-1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]-4-phenylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[[(1S)-1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]-4-phenylpyridine-2-carboxamide?
The IUPAC name of N-[(1S)-3-[[(1S)-1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]-4-phenylpyridine-2-carboxamide (CID 58685747) is N-[(1S)-3-[[(1S)-1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]-4-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-3-[[(1S)-1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]-4-phenylpyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-3-[[(1S)-1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]-4-phenylpyridine-2-carboxamide is C[C@@H]1C(=O)NC(=O)[C@H]1C(=O)[C@@H](NC(=O)C[C@H](NC(=O)c1cc(-c2ccccc2)ccn1)c1ccccc1)C1CCCC1.
What is the InChIKey of N-[(1S)-3-[[(1S)-1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]-4-phenylpyridine-2-carboxamide?
The InChIKey is FKMSHQOYIBLSEL-ZUVRJUTJSA-N. The full InChI is InChI=1S/C33H34N4O5/c1-20-28(33(42)37-31(20)40)30(39)29(23-14-8-9-15-23)36-27(38)19-25(22-12-6-3-7-13-22)35-32(41)26-18-24(16-17-34-26)21-10-4-2-5-11-21/h2-7,10-13,16-18,20,23,25,28-29H,8-9,14-15,19H2,1H3,(H,35,41)(H,36,38)(H,37,40,42)/t20-,25-,28+,29-/m0/s1.
What are the key properties of N-[(1S)-3-[[(1S)-1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]-4-phenylpyridine-2-carboxamide?
N-[(1S)-3-[[(1S)-1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]-4-phenylpyridine-2-carboxamide has a molecular weight of 566.66 g/mol, XLogP of 3.76, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[[(1S)-1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]-4-phenylpyridine-2-carboxamide is sourced from PubChem (CID 58685747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).