5-[(dimethylamino)methyl]-1-(3-nitro-2-pyridinyl)pyrrolidin-3-ol

C12H18N4O3 — CID 66053376

IUPAC5-[(dimethylamino)methyl]-1-(3-nitro-2-pyridinyl)pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c1-14(2)7-9-6-10(17)8-15(9)12-11(16(18)19)4-3-5-13-12/h3-5,9-10,17H,6-8H2,1-2H3
InChIKeyPGLXORXJHDWUKY-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.49
Rot. Bonds4

About 5-[(dimethylamino)methyl]-1-(3-nitro-2-pyridinyl)pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-(3-nitro-2-pyridinyl)pyrrolidin-3-ol (PubChem CID 66053376) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-(3-nitro-2-pyridinyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-(3-nitro-2-pyridinyl)pyrrolidin-3-ol
PubChem CID66053376
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name5-[(dimethylamino)methyl]-1-(3-nitro-2-pyridinyl)pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c1-14(2)7-9-6-10(17)8-15(9)12-11(16(18)19)4-3-5-13-12/h3-5,9-10,17H,6-8H2,1-2H3
InChIKeyPGLXORXJHDWUKY-UHFFFAOYSA-N
XLogP0.49
TPSA82.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 5-[(dimethylamino)methyl]-1-(3-nitro-2-pyridinyl)pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-(3-nitro-2-pyridinyl)pyrrolidin-3-ol (CID 66053376) is 5-[(dimethylamino)methyl]-1-(3-nitro-2-pyridinyl)pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-(3-nitro-2-pyridinyl)pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-(3-nitro-2-pyridinyl)pyrrolidin-3-ol is CN(C)CC1CC(O)CN1c1ncccc1[N+](=O)[O-].
What is the InChIKey of 5-[(dimethylamino)methyl]-1-(3-nitro-2-pyridinyl)pyrrolidin-3-ol?
The InChIKey is PGLXORXJHDWUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-14(2)7-9-6-10(17)8-15(9)12-11(16(18)19)4-3-5-13-12/h3-5,9-10,17H,6-8H2,1-2H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-(3-nitro-2-pyridinyl)pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-(3-nitro-2-pyridinyl)pyrrolidin-3-ol has a molecular weight of 266.30 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-(3-nitro-2-pyridinyl)pyrrolidin-3-ol is sourced from PubChem (CID 66053376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).