3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-6-phenyl-1H-pyridin-2-one;hydrochloride

C19H22ClN3O2 — CID 119637585

IUPAC3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-6-phenyl-1H-pyridin-2-one;hydrochloride
SMILESCl.O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC2CCC(C1)N2
InChIInChI=1S/C19H21N3O2.ClH/c23-18-16(8-9-17(21-18)13-4-2-1-3-5-13)19(24)22-11-10-14-6-7-15(12-22)20-14;/h1-5,8-9,14-15,20H,6-7,10-12H2,(H,21,23);1H
InChIKeyAYOLKUAQXVLZKI-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.43
Rot. Bonds2

About 3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-6-phenyl-1H-pyridin-2-one;hydrochloride

3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-6-phenyl-1H-pyridin-2-one;hydrochloride (PubChem CID 119637585) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-6-phenyl-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-6-phenyl-1H-pyridin-2-one;hydrochloride
PubChem CID119637585
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-6-phenyl-1H-pyridin-2-one;hydrochloride
SMILESCl.O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC2CCC(C1)N2
InChIInChI=1S/C19H21N3O2.ClH/c23-18-16(8-9-17(21-18)13-4-2-1-3-5-13)19(24)22-11-10-14-6-7-15(12-22)20-14;/h1-5,8-9,14-15,20H,6-7,10-12H2,(H,21,23);1H
InChIKeyAYOLKUAQXVLZKI-UHFFFAOYSA-N
XLogP2.43
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-6-phenyl-1H-pyridin-2-one;hydrochloride with MolForge

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Related Compounds

3-[3-(methylamino)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 119491224
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 119595143
(2-chloro-4-fluorophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638995
3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride
CID 119636847
6-phenyl-3-(1,3-thiazolidine-3-carbonyl)-1H-pyridin-2-one
CID 125483735
3-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 75404213
3-[(3R,4S)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 72857453
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4-dimethylphenyl)methanone
CID 81483355
(2-benzylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119637270
(2-anilinophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635435
[4-(4-chlorophenyl)-2-fluorophenyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638856
(2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride
CID 119636803

Frequently Asked Questions

What is the IUPAC name of 3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-6-phenyl-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-6-phenyl-1H-pyridin-2-one;hydrochloride (CID 119637585) is 3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-6-phenyl-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-6-phenyl-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-6-phenyl-1H-pyridin-2-one;hydrochloride is Cl.O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC2CCC(C1)N2.
What is the InChIKey of 3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-6-phenyl-1H-pyridin-2-one;hydrochloride?
The InChIKey is AYOLKUAQXVLZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2.ClH/c23-18-16(8-9-17(21-18)13-4-2-1-3-5-13)19(24)22-11-10-14-6-7-15(12-22)20-14;/h1-5,8-9,14-15,20H,6-7,10-12H2,(H,21,23);1H.
What are the key properties of 3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-6-phenyl-1H-pyridin-2-one;hydrochloride?
3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-6-phenyl-1H-pyridin-2-one;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-6-phenyl-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 119637585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).