5-amino-1-[3-[(2-hydroxycyclohexyl)-methylamino]propyl]pyridin-2-one

C15H25N3O2 — CID 102631555

IUPAC5-amino-1-[3-[(2-hydroxycyclohexyl)-methylamino]propyl]pyridin-2-one
SMILESCN(CCCn1cc(N)ccc1=O)C1CCCCC1O
InChIInChI=1S/C15H25N3O2/c1-17(13-5-2-3-6-14(13)19)9-4-10-18-11-12(16)7-8-15(18)20/h7-8,11,13-14,19H,2-6,9-10,16H2,1H3
InChIKeyHVZUEKBRYLYUMW-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.06
Rot. Bonds5

About 5-amino-1-[3-[(2-hydroxycyclohexyl)-methylamino]propyl]pyridin-2-one

5-amino-1-[3-[(2-hydroxycyclohexyl)-methylamino]propyl]pyridin-2-one (PubChem CID 102631555) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-amino-1-[3-[(2-hydroxycyclohexyl)-methylamino]propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-[(2-hydroxycyclohexyl)-methylamino]propyl]pyridin-2-one
PubChem CID102631555
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name5-amino-1-[3-[(2-hydroxycyclohexyl)-methylamino]propyl]pyridin-2-one
SMILESCN(CCCn1cc(N)ccc1=O)C1CCCCC1O
InChIInChI=1S/C15H25N3O2/c1-17(13-5-2-3-6-14(13)19)9-4-10-18-11-12(16)7-8-15(18)20/h7-8,11,13-14,19H,2-6,9-10,16H2,1H3
InChIKeyHVZUEKBRYLYUMW-UHFFFAOYSA-N
XLogP1.06
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-[(2-hydroxycyclohexyl)-methylamino]propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-[(2-hydroxycyclohexyl)-methylamino]propyl]pyridin-2-one (CID 102631555) is 5-amino-1-[3-[(2-hydroxycyclohexyl)-methylamino]propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-[(2-hydroxycyclohexyl)-methylamino]propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-[(2-hydroxycyclohexyl)-methylamino]propyl]pyridin-2-one is CN(CCCn1cc(N)ccc1=O)C1CCCCC1O.
What is the InChIKey of 5-amino-1-[3-[(2-hydroxycyclohexyl)-methylamino]propyl]pyridin-2-one?
The InChIKey is HVZUEKBRYLYUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-17(13-5-2-3-6-14(13)19)9-4-10-18-11-12(16)7-8-15(18)20/h7-8,11,13-14,19H,2-6,9-10,16H2,1H3.
What are the key properties of 5-amino-1-[3-[(2-hydroxycyclohexyl)-methylamino]propyl]pyridin-2-one?
5-amino-1-[3-[(2-hydroxycyclohexyl)-methylamino]propyl]pyridin-2-one has a molecular weight of 279.38 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-[(2-hydroxycyclohexyl)-methylamino]propyl]pyridin-2-one is sourced from PubChem (CID 102631555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).