(2-amino-5-chloro-4-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone

C13H18ClN3O2 — CID 102966244

IUPAC(2-amino-5-chloro-4-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2cc(N)ncc2Cl)CCC1C
InChIInChI=1S/C13H18ClN3O2/c1-8-3-4-17(7-11(8)19-2)13(18)9-5-12(15)16-6-10(9)14/h5-6,8,11H,3-4,7H2,1-2H3,(H2,15,16)
InChIKeyDBBSTIYFEUSJRJ-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.81
Rot. Bonds2

About (2-amino-5-chloro-4-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone

(2-amino-5-chloro-4-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone (PubChem CID 102966244) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is (2-amino-5-chloro-4-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-chloro-4-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
PubChem CID102966244
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name(2-amino-5-chloro-4-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2cc(N)ncc2Cl)CCC1C
InChIInChI=1S/C13H18ClN3O2/c1-8-3-4-17(7-11(8)19-2)13(18)9-5-12(15)16-6-10(9)14/h5-6,8,11H,3-4,7H2,1-2H3,(H2,15,16)
InChIKeyDBBSTIYFEUSJRJ-UHFFFAOYSA-N
XLogP1.81
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-5-chloro-4-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 114923810
(2-amino-5-chloro-4-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 114923992
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-amino-5-chloro-4-pyridinyl)methanone
CID 114922388
(2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 114924651
(2-amino-5-chloro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 114923710
(2-amino-5-chloro-4-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 114922444
6-(2-amino-5-chloropyridine-4-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 114924225
(5-chloro-2-iodophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677669
(2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 114923213
(2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954936
(6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102965773
(2-amino-5-chloro-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228718

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-4-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-5-chloro-4-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone (CID 102966244) is (2-amino-5-chloro-4-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-chloro-4-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-5-chloro-4-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone is COC1CN(C(=O)c2cc(N)ncc2Cl)CCC1C.
What is the InChIKey of (2-amino-5-chloro-4-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is DBBSTIYFEUSJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-8-3-4-17(7-11(8)19-2)13(18)9-5-12(15)16-6-10(9)14/h5-6,8,11H,3-4,7H2,1-2H3,(H2,15,16).
What are the key properties of (2-amino-5-chloro-4-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
(2-amino-5-chloro-4-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 283.76 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-4-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102966244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).