(3S,4S)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]pyrrolidine-3-carboxamide

C22H24N4O3 — CID 25138258

IUPAC(3S,4S)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]pyrrolidine-3-carboxamide
SMILESCc1[nH]c2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C22H24N4O3/c1-13-17(16-4-2-3-5-19(16)24-13)10-14-6-8-15(9-7-14)21(27)25-20-12-23-11-18(20)22(28)26-29/h2-9,18,20,23-24,29H,10-12H2,1H3,(H,25,27)(H,26,28)/t18-,20+/m0/s1
InChIKeyPVXFXCXPVPZDJJ-AZUAARDMSA-N
MW392.46 g/mol
LogP1.89
Rot. Bonds5

About (3S,4S)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]pyrrolidine-3-carboxamide

(3S,4S)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]pyrrolidine-3-carboxamide (PubChem CID 25138258) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (3S,4S)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]pyrrolidine-3-carboxamide
PubChem CID25138258
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(3S,4S)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]pyrrolidine-3-carboxamide
SMILESCc1[nH]c2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C22H24N4O3/c1-13-17(16-4-2-3-5-19(16)24-13)10-14-6-8-15(9-7-14)21(27)25-20-12-23-11-18(20)22(28)26-29/h2-9,18,20,23-24,29H,10-12H2,1H3,(H,25,27)(H,26,28)/t18-,20+/m0/s1
InChIKeyPVXFXCXPVPZDJJ-AZUAARDMSA-N
XLogP1.89
TPSA106.25 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]pyrrolidine-3-carboxamide (CID 25138258) is (3S,4S)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]pyrrolidine-3-carboxamide is Cc1[nH]c2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (3S,4S)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]pyrrolidine-3-carboxamide?
The InChIKey is PVXFXCXPVPZDJJ-AZUAARDMSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-13-17(16-4-2-3-5-19(16)24-13)10-14-6-8-15(9-7-14)21(27)25-20-12-23-11-18(20)22(28)26-29/h2-9,18,20,23-24,29H,10-12H2,1H3,(H,25,27)(H,26,28)/t18-,20+/m0/s1.
What are the key properties of (3S,4S)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]pyrrolidine-3-carboxamide?
(3S,4S)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]pyrrolidine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 1.89, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]pyrrolidine-3-carboxamide is sourced from PubChem (CID 25138258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).