1-hydroxy-2-[(1S,3S)-3-[[5-(3-methyl-2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]amino]cyclopentyl]guanidine

C15H21N7O3 — CID 175887691

IUPAC1-hydroxy-2-[(1S,3S)-3-[[5-(3-methyl-2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]amino]cyclopentyl]guanidine
SMILESCN1C(=O)CN(c2ccc(N[C@H]3CC[C@H](/N=C(\N)NO)C3)nc2)C1=O
InChIInChI=1S/C15H21N7O3/c1-21-13(23)8-22(15(21)24)11-4-5-12(17-7-11)18-9-2-3-10(6-9)19-14(16)20-25/h4-5,7,9-10,25H,2-3,6,8H2,1H3,(H,17,18)(H3,16,19,20)/t9-,10-/m0/s1
InChIKeyIEYUCYLOKVCKMS-UWVGGRQHSA-N
MW347.38 g/mol
LogP0.11
Rot. Bonds4

About 1-hydroxy-2-[(1S,3S)-3-[[5-(3-methyl-2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]amino]cyclopentyl]guanidine

1-hydroxy-2-[(1S,3S)-3-[[5-(3-methyl-2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]amino]cyclopentyl]guanidine (PubChem CID 175887691) has the molecular formula C15H21N7O3 and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-hydroxy-2-[(1S,3S)-3-[[5-(3-methyl-2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]amino]cyclopentyl]guanidine.

Molecular Properties

Compound Name1-hydroxy-2-[(1S,3S)-3-[[5-(3-methyl-2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]amino]cyclopentyl]guanidine
PubChem CID175887691
Molecular FormulaC15H21N7O3
Molecular Weight347.38 g/mol
Exact Mass347.17
IUPAC Name1-hydroxy-2-[(1S,3S)-3-[[5-(3-methyl-2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]amino]cyclopentyl]guanidine
SMILESCN1C(=O)CN(c2ccc(N[C@H]3CC[C@H](/N=C(\N)NO)C3)nc2)C1=O
InChIInChI=1S/C15H21N7O3/c1-21-13(23)8-22(15(21)24)11-4-5-12(17-7-11)18-9-2-3-10(6-9)19-14(16)20-25/h4-5,7,9-10,25H,2-3,6,8H2,1H3,(H,17,18)(H3,16,19,20)/t9-,10-/m0/s1
InChIKeyIEYUCYLOKVCKMS-UWVGGRQHSA-N
XLogP0.11
TPSA136.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 1-hydroxy-2-[(1S,3S)-3-[[5-(3-methyl-2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]amino]cyclopentyl]guanidine?
The IUPAC name of 1-hydroxy-2-[(1S,3S)-3-[[5-(3-methyl-2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]amino]cyclopentyl]guanidine (CID 175887691) is 1-hydroxy-2-[(1S,3S)-3-[[5-(3-methyl-2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]amino]cyclopentyl]guanidine.
What is the SMILES notation for 1-hydroxy-2-[(1S,3S)-3-[[5-(3-methyl-2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]amino]cyclopentyl]guanidine?
The canonical SMILES for 1-hydroxy-2-[(1S,3S)-3-[[5-(3-methyl-2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]amino]cyclopentyl]guanidine is CN1C(=O)CN(c2ccc(N[C@H]3CC[C@H](/N=C(\N)NO)C3)nc2)C1=O.
What is the InChIKey of 1-hydroxy-2-[(1S,3S)-3-[[5-(3-methyl-2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]amino]cyclopentyl]guanidine?
The InChIKey is IEYUCYLOKVCKMS-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H21N7O3/c1-21-13(23)8-22(15(21)24)11-4-5-12(17-7-11)18-9-2-3-10(6-9)19-14(16)20-25/h4-5,7,9-10,25H,2-3,6,8H2,1H3,(H,17,18)(H3,16,19,20)/t9-,10-/m0/s1.
What are the key properties of 1-hydroxy-2-[(1S,3S)-3-[[5-(3-methyl-2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]amino]cyclopentyl]guanidine?
1-hydroxy-2-[(1S,3S)-3-[[5-(3-methyl-2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]amino]cyclopentyl]guanidine has a molecular weight of 347.38 g/mol, XLogP of 0.11, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[(1S,3S)-3-[[5-(3-methyl-2,4-dioxoimidazolidin-1-yl)-2-pyridinyl]amino]cyclopentyl]guanidine is sourced from PubChem (CID 175887691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).