N-[(1R,2R)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-6-oxo-1H-pyridine-2-carboxamide

C21H20N4O6 — CID 166328107

IUPACN-[(1R,2R)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(CN1C(=O)CCC1=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cc(O)cc(=O)[nH]1
InChIInChI=1S/C21H20N4O6/c26-12-8-15(23-16(27)9-12)21(31)24-20-13-4-2-1-3-11(13)7-14(20)22-17(28)10-25-18(29)5-6-19(25)30/h1-4,8-9,14,20H,5-7,10H2,(H,22,28)(H,24,31)(H2,23,26,27)/t14-,20-/m1/s1
InChIKeyABLWPMLQXINKFS-JLTOFOAXSA-N
MW424.41 g/mol
LogP-0.26
Rot. Bonds5

About N-[(1R,2R)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-6-oxo-1H-pyridine-2-carboxamide

N-[(1R,2R)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 166328107) has the molecular formula C21H20N4O6 and a molecular weight of 424.41 g/mol. Its IUPAC name is N-[(1R,2R)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-6-oxo-1H-pyridine-2-carboxamide
PubChem CID166328107
Molecular FormulaC21H20N4O6
Molecular Weight424.41 g/mol
Exact Mass424.14
IUPAC NameN-[(1R,2R)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(CN1C(=O)CCC1=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cc(O)cc(=O)[nH]1
InChIInChI=1S/C21H20N4O6/c26-12-8-15(23-16(27)9-12)21(31)24-20-13-4-2-1-3-11(13)7-14(20)22-17(28)10-25-18(29)5-6-19(25)30/h1-4,8-9,14,20H,5-7,10H2,(H,22,28)(H,24,31)(H2,23,26,27)/t14-,20-/m1/s1
InChIKeyABLWPMLQXINKFS-JLTOFOAXSA-N
XLogP-0.26
TPSA148.67 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[(1R,2R)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-6-oxo-1H-pyridine-2-carboxamide with MolForge

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Related Compounds

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CID 7819453
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CID 91420446
2-chloro-N-[(1R,2R)-1-[(2-hydroxyacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 10237504
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 72927897
2-(4-bromopyrazol-1-yl)-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 164637304
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-oxo-1-pyridinyl)acetamide
CID 74240162
2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-piperidin-4-ylacetamide
CID 125134274
2,3-dichloro-N-[(1S,2S)-1-(pyridine-3-carbonylamino)-2,3-dihydro-1H-inden-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 10174054
5-chloro-N-[(1S,2S)-1-(methanesulfonamido)-2,3-dihydro-1H-inden-2-yl]-1H-indole-2-carboxamide
CID 24887280
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1H-pyrrole-2-carboxamide
CID 141284427
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CID 18407081
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CID 95702472

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(1R,2R)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-6-oxo-1H-pyridine-2-carboxamide (CID 166328107) is N-[(1R,2R)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-6-oxo-1H-pyridine-2-carboxamide is O=C(CN1C(=O)CCC1=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cc(O)cc(=O)[nH]1.
What is the InChIKey of N-[(1R,2R)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is ABLWPMLQXINKFS-JLTOFOAXSA-N. The full InChI is InChI=1S/C21H20N4O6/c26-12-8-15(23-16(27)9-12)21(31)24-20-13-4-2-1-3-11(13)7-14(20)22-17(28)10-25-18(29)5-6-19(25)30/h1-4,8-9,14,20H,5-7,10H2,(H,22,28)(H,24,31)(H2,23,26,27)/t14-,20-/m1/s1.
What are the key properties of N-[(1R,2R)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-6-oxo-1H-pyridine-2-carboxamide?
N-[(1R,2R)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 424.41 g/mol, XLogP of -0.26, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 166328107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).