N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]quinoxaline-2-carboxamide

C15H17N3O3 — CID 98783711

IUPACN-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]quinoxaline-2-carboxamide
SMILESO=C(N[C@H]1C[C@@H](CO)[C@@H](O)C1)c1cnc2ccccc2n1
InChIInChI=1S/C15H17N3O3/c19-8-9-5-10(6-14(9)20)17-15(21)13-7-16-11-3-1-2-4-12(11)18-13/h1-4,7,9-10,14,19-20H,5-6,8H2,(H,17,21)/t9-,10-,14-/m0/s1
InChIKeyGGTBLLMDYUDUHF-BHDSKKPTSA-N
MW287.32 g/mol
LogP0.49
Rot. Bonds3

About N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]quinoxaline-2-carboxamide

N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]quinoxaline-2-carboxamide (PubChem CID 98783711) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]quinoxaline-2-carboxamide
PubChem CID98783711
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]quinoxaline-2-carboxamide
SMILESO=C(N[C@H]1C[C@@H](CO)[C@@H](O)C1)c1cnc2ccccc2n1
InChIInChI=1S/C15H17N3O3/c19-8-9-5-10(6-14(9)20)17-15(21)13-7-16-11-3-1-2-4-12(11)18-13/h1-4,7,9-10,14,19-20H,5-6,8H2,(H,17,21)/t9-,10-,14-/m0/s1
InChIKeyGGTBLLMDYUDUHF-BHDSKKPTSA-N
XLogP0.49
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]quinoxaline-2-carboxamide (CID 98783711) is N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]quinoxaline-2-carboxamide is O=C(N[C@H]1C[C@@H](CO)[C@@H](O)C1)c1cnc2ccccc2n1.
What is the InChIKey of N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]quinoxaline-2-carboxamide?
The InChIKey is GGTBLLMDYUDUHF-BHDSKKPTSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-8-9-5-10(6-14(9)20)17-15(21)13-7-16-11-3-1-2-4-12(11)18-13/h1-4,7,9-10,14,19-20H,5-6,8H2,(H,17,21)/t9-,10-,14-/m0/s1.
What are the key properties of N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]quinoxaline-2-carboxamide?
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]quinoxaline-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 98783711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).