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

C13H19N3O2 — CID 102965773

IUPAC(6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2cccc(N)n2)CCC1C
InChIInChI=1S/C13H19N3O2/c1-9-6-7-16(8-11(9)18-2)13(17)10-4-3-5-12(14)15-10/h3-5,9,11H,6-8H2,1-2H3,(H2,14,15)
InChIKeyVBAVRTOJXXISKC-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.16
Rot. Bonds2

About (6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone

(6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone (PubChem CID 102965773) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
PubChem CID102965773
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2cccc(N)n2)CCC1C
InChIInChI=1S/C13H19N3O2/c1-9-6-7-16(8-11(9)18-2)13(17)10-4-3-5-12(14)15-10/h3-5,9,11H,6-8H2,1-2H3,(H2,14,15)
InChIKeyVBAVRTOJXXISKC-UHFFFAOYSA-N
XLogP1.16
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-amino-2-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62240676
(6-amino-2-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62239764
(6-amino-2-pyridinyl)-(3-tert-butylpyrrolidin-1-yl)methanone
CID 113418713
(2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954936
(3-amino-2-bromophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102955000
(3-amino-2-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954965
(6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride
CID 119999102
[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124619868
(6-amino-2-pyridinyl)-[(2S)-2-methyl-1,4-oxazepan-4-yl]methanone
CID 94908396
(6-amino-2-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride
CID 119999097
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102957497
(6-amino-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119999249

Frequently Asked Questions

What is the IUPAC name of (6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone (CID 102965773) is (6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone is COC1CN(C(=O)c2cccc(N)n2)CCC1C.
What is the InChIKey of (6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is VBAVRTOJXXISKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-6-7-16(8-11(9)18-2)13(17)10-4-3-5-12(14)15-10/h3-5,9,11H,6-8H2,1-2H3,(H2,14,15).
What are the key properties of (6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
(6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102965773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).