5-amino-1-[3-[2-(hydroxymethyl)azepan-1-yl]propyl]pyridin-2-one

C15H25N3O2 — CID 116634175

IUPAC5-amino-1-[3-[2-(hydroxymethyl)azepan-1-yl]propyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCCN2CCCCCC2CO)c1
InChIInChI=1S/C15H25N3O2/c16-13-6-7-15(20)18(11-13)10-4-9-17-8-3-1-2-5-14(17)12-19/h6-7,11,14,19H,1-5,8-10,12,16H2
InChIKeyVCRBMHZNKKDNJG-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.06
Rot. Bonds5

About 5-amino-1-[3-[2-(hydroxymethyl)azepan-1-yl]propyl]pyridin-2-one

5-amino-1-[3-[2-(hydroxymethyl)azepan-1-yl]propyl]pyridin-2-one (PubChem CID 116634175) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-amino-1-[3-[2-(hydroxymethyl)azepan-1-yl]propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-[2-(hydroxymethyl)azepan-1-yl]propyl]pyridin-2-one
PubChem CID116634175
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name5-amino-1-[3-[2-(hydroxymethyl)azepan-1-yl]propyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCCN2CCCCCC2CO)c1
InChIInChI=1S/C15H25N3O2/c16-13-6-7-15(20)18(11-13)10-4-9-17-8-3-1-2-5-14(17)12-19/h6-7,11,14,19H,1-5,8-10,12,16H2
InChIKeyVCRBMHZNKKDNJG-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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Related Compounds

3-Amino-1-(9-hydroxynonan-4-yl)pyridin-2-one
CID 137449786
5-Amino-1-[3-[2-(2-hydroxyethyl)piperidin-1-yl]propyl]pyridin-2-one
CID 43259597
5-Amino-1-[2-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 43259598
5-Amino-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethyl]pyridin-2-one
CID 55075922
5-Amino-1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 61406763
5-Amino-1-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one
CID 61406805
5-Amino-1-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyridin-2-one
CID 61407426
5-Amino-1-[3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propyl]pyridin-2-one
CID 62467517
6-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
CID 102126800
5-Amino-1-[3-[(2-hydroxycyclohexyl)-methylamino]propyl]pyridin-2-one
CID 102631555
2-(5-amino-2-oxo-1-pyridinyl)-N-(2-hydroxycycloheptyl)acetamide
CID 104279571
N-(2-hydroxycycloheptyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 104282388

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-[2-(hydroxymethyl)azepan-1-yl]propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-[2-(hydroxymethyl)azepan-1-yl]propyl]pyridin-2-one (CID 116634175) is 5-amino-1-[3-[2-(hydroxymethyl)azepan-1-yl]propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-[2-(hydroxymethyl)azepan-1-yl]propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-[2-(hydroxymethyl)azepan-1-yl]propyl]pyridin-2-one is Nc1ccc(=O)n(CCCN2CCCCCC2CO)c1.
What is the InChIKey of 5-amino-1-[3-[2-(hydroxymethyl)azepan-1-yl]propyl]pyridin-2-one?
The InChIKey is VCRBMHZNKKDNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c16-13-6-7-15(20)18(11-13)10-4-9-17-8-3-1-2-5-14(17)12-19/h6-7,11,14,19H,1-5,8-10,12,16H2.
What are the key properties of 5-amino-1-[3-[2-(hydroxymethyl)azepan-1-yl]propyl]pyridin-2-one?
5-amino-1-[3-[2-(hydroxymethyl)azepan-1-yl]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-(hydroxymethyl)azepan-1-yl]propyl]pyridin-2-one is sourced from PubChem (CID 116634175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).