(3-chloro-6-methoxy-2-pyridinyl)-(3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone;hydrochloride

C14H19Cl2N3O2 — CID 156759443

IUPAC(3-chloro-6-methoxy-2-pyridinyl)-(3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone;hydrochloride
SMILESCOc1ccc(Cl)c(C(=O)N2C3CCNCC2CC3)n1.Cl
InChIInChI=1S/C14H18ClN3O2.ClH/c1-20-12-5-4-11(15)13(17-12)14(19)18-9-2-3-10(18)8-16-7-6-9;/h4-5,9-10,16H,2-3,6-8H2,1H3;1H
InChIKeyYDYKTAYJPNMTDJ-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.13
Rot. Bonds2

About (3-chloro-6-methoxy-2-pyridinyl)-(3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone;hydrochloride

(3-chloro-6-methoxy-2-pyridinyl)-(3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone;hydrochloride (PubChem CID 156759443) has the molecular formula C14H19Cl2N3O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is (3-chloro-6-methoxy-2-pyridinyl)-(3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-chloro-6-methoxy-2-pyridinyl)-(3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone;hydrochloride
PubChem CID156759443
Molecular FormulaC14H19Cl2N3O2
Molecular Weight332.23 g/mol
Exact Mass331.09
IUPAC Name(3-chloro-6-methoxy-2-pyridinyl)-(3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone;hydrochloride
SMILESCOc1ccc(Cl)c(C(=O)N2C3CCNCC2CC3)n1.Cl
InChIInChI=1S/C14H18ClN3O2.ClH/c1-20-12-5-4-11(15)13(17-12)14(19)18-9-2-3-10(18)8-16-7-6-9;/h4-5,9-10,16H,2-3,6-8H2,1H3;1H
InChIKeyYDYKTAYJPNMTDJ-UHFFFAOYSA-N
XLogP2.13
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-chloro-6-methoxy-2-pyridinyl)-(3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone;hydrochloride with MolForge

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Related Compounds

1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-4-(4-methoxyphenyl)butane-1,4-dione
CID 75595253
[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
CID 133120064
3-chloro-N,6-dimethoxy-N-methylpyridine-2-carboxamide
CID 171547824
3,9-diazabicyclo[4.2.1]nonan-9-yl-(3-methylfuran-2-yl)methanone
CID 75595619
1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone
CID 59172058
(6-amino-3-chloro-2-pyridinyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63768979
1-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-pyridin-4-ylethanone;dihydrochloride
CID 154892081
3,6-diazabicyclo[3.2.2]nonan-6-yl-(6-methoxy-2-pyridinyl)methanone
CID 146602419
[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone
CID 74248089
ethyl 3-chloro-6-methoxypyridine-2-carboxylate
CID 46311313
(5-chloro-3-phenyl-1H-indol-2-yl)-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone;hydrochloride
CID 154893872
1-[4-[4-[(1R,6S)-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-2-methoxyphenoxy]piperidin-1-yl]ethanone
CID 133127375

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-methoxy-2-pyridinyl)-(3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone;hydrochloride?
The IUPAC name of (3-chloro-6-methoxy-2-pyridinyl)-(3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone;hydrochloride (CID 156759443) is (3-chloro-6-methoxy-2-pyridinyl)-(3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone;hydrochloride.
What is the SMILES notation for (3-chloro-6-methoxy-2-pyridinyl)-(3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone;hydrochloride?
The canonical SMILES for (3-chloro-6-methoxy-2-pyridinyl)-(3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone;hydrochloride is COc1ccc(Cl)c(C(=O)N2C3CCNCC2CC3)n1.Cl.
What is the InChIKey of (3-chloro-6-methoxy-2-pyridinyl)-(3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone;hydrochloride?
The InChIKey is YDYKTAYJPNMTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2.ClH/c1-20-12-5-4-11(15)13(17-12)14(19)18-9-2-3-10(18)8-16-7-6-9;/h4-5,9-10,16H,2-3,6-8H2,1H3;1H.
What are the key properties of (3-chloro-6-methoxy-2-pyridinyl)-(3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone;hydrochloride?
(3-chloro-6-methoxy-2-pyridinyl)-(3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone;hydrochloride has a molecular weight of 332.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-methoxy-2-pyridinyl)-(3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone;hydrochloride is sourced from PubChem (CID 156759443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).