N-[(3S,5S)-1-acetyl-5-(hydroxycarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide

C13H16N4O4 — CID 25147061

IUPACN-[(3S,5S)-1-acetyl-5-(hydroxycarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCC(=O)N1C[C@@H](NC(=O)c2cccnc2)C[C@H]1C(=O)NO
InChIInChI=1S/C13H16N4O4/c1-8(18)17-7-10(5-11(17)13(20)16-21)15-12(19)9-3-2-4-14-6-9/h2-4,6,10-11,21H,5,7H2,1H3,(H,15,19)(H,16,20)/t10-,11-/m0/s1
InChIKeyLZVWNHAIDYLKHC-QWRGUYRKSA-N
MW292.30 g/mol
LogP-0.69
Rot. Bonds3

About N-[(3S,5S)-1-acetyl-5-(hydroxycarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide

N-[(3S,5S)-1-acetyl-5-(hydroxycarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 25147061) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-[(3S,5S)-1-acetyl-5-(hydroxycarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-1-acetyl-5-(hydroxycarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID25147061
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC NameN-[(3S,5S)-1-acetyl-5-(hydroxycarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCC(=O)N1C[C@@H](NC(=O)c2cccnc2)C[C@H]1C(=O)NO
InChIInChI=1S/C13H16N4O4/c1-8(18)17-7-10(5-11(17)13(20)16-21)15-12(19)9-3-2-4-14-6-9/h2-4,6,10-11,21H,5,7H2,1H3,(H,15,19)(H,16,20)/t10-,11-/m0/s1
InChIKeyLZVWNHAIDYLKHC-QWRGUYRKSA-N
XLogP-0.69
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 N-[(3S,5S)-1-acetyl-5-(hydroxycarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(3S,5S)-1-acetyl-5-(hydroxycarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide (CID 25147061) is N-[(3S,5S)-1-acetyl-5-(hydroxycarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S,5S)-1-acetyl-5-(hydroxycarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3S,5S)-1-acetyl-5-(hydroxycarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide is CC(=O)N1C[C@@H](NC(=O)c2cccnc2)C[C@H]1C(=O)NO.
What is the InChIKey of N-[(3S,5S)-1-acetyl-5-(hydroxycarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is LZVWNHAIDYLKHC-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-8(18)17-7-10(5-11(17)13(20)16-21)15-12(19)9-3-2-4-14-6-9/h2-4,6,10-11,21H,5,7H2,1H3,(H,15,19)(H,16,20)/t10-,11-/m0/s1.
What are the key properties of N-[(3S,5S)-1-acetyl-5-(hydroxycarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
N-[(3S,5S)-1-acetyl-5-(hydroxycarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 292.30 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-1-acetyl-5-(hydroxycarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 25147061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).