(3R)-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one

C11H15N3O — CID 71421611

IUPAC(3R)-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
SMILESO=C1NCCCN[C@@H]1Cc1ccccn1
InChIInChI=1S/C11H15N3O/c15-11-10(13-6-3-7-14-11)8-9-4-1-2-5-12-9/h1-2,4-5,10,13H,3,6-8H2,(H,14,15)/t10-/m1/s1
InChIKeyZQDHZZZNDACKQK-SNVBAGLBSA-N
MW205.26 g/mol
LogP0.10
Rot. Bonds2

About (3R)-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one

(3R)-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one (PubChem CID 71421611) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (3R)-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name(3R)-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
PubChem CID71421611
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(3R)-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
SMILESO=C1NCCCN[C@@H]1Cc1ccccn1
InChIInChI=1S/C11H15N3O/c15-11-10(13-6-3-7-14-11)8-9-4-1-2-5-12-9/h1-2,4-5,10,13H,3,6-8H2,(H,14,15)/t10-/m1/s1
InChIKeyZQDHZZZNDACKQK-SNVBAGLBSA-N
XLogP0.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(pyridin-2-ylmethyl)piperazin-2-one
CID 55253321
3-benzyl-1,4-diazepan-2-one
CID 78068532
3-(2-pyridin-2-ylethyl)piperidin-2-one
CID 104679210
3-(pyridin-2-ylmethylamino)piperidin-2-one
CID 62092104
3-(pyridin-2-ylmethylamino)azepan-2-one
CID 43199271
2-(cyclohexylmethyl)pyridine
CID 14762660
(4S,12S)-4,12-dibenzyl-3,6,10,13,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-5,11-dione
CID 11547343
2-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]pyridine
CID 97166240
2-(piperidin-2-ylmethylsulfinylmethyl)pyridine;hydrochloride
CID 71646095
(3R,6S,9R,12R)-6-cyclopropyl-3,8,9-trimethyl-12-(pyridin-2-ylmethyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 24969950
(2S)-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride
CID 89235530
N-(pyridin-2-ylmethyl)azocane-2-carboxamide
CID 114240037

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one?
The IUPAC name of (3R)-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one (CID 71421611) is (3R)-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one.
What is the SMILES notation for (3R)-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one?
The canonical SMILES for (3R)-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one is O=C1NCCCN[C@@H]1Cc1ccccn1.
What is the InChIKey of (3R)-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one?
The InChIKey is ZQDHZZZNDACKQK-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15N3O/c15-11-10(13-6-3-7-14-11)8-9-4-1-2-5-12-9/h1-2,4-5,10,13H,3,6-8H2,(H,14,15)/t10-/m1/s1.
What are the key properties of (3R)-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one?
(3R)-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one is sourced from PubChem (CID 71421611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).