(2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone

C12H17N3O2 — CID 102969309

IUPAC(2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
SMILESCOC1CCCN(C(=O)c2cccnc2N)C1
InChIInChI=1S/C12H17N3O2/c1-17-9-4-3-7-15(8-9)12(16)10-5-2-6-14-11(10)13/h2,5-6,9H,3-4,7-8H2,1H3,(H2,13,14)
InChIKeyGVVNSSVQELOTBL-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.91
Rot. Bonds2

About (2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone

(2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone (PubChem CID 102969309) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
PubChem CID102969309
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
SMILESCOC1CCCN(C(=O)c2cccnc2N)C1
InChIInChI=1S/C12H17N3O2/c1-17-9-4-3-7-15(8-9)12(16)10-5-2-6-14-11(10)13/h2,5-6,9H,3-4,7-8H2,1H3,(H2,13,14)
InChIKeyGVVNSSVQELOTBL-UHFFFAOYSA-N
XLogP0.91
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-3-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681656
[2-amino-3-(trifluoromethyl)phenyl]-(3-methoxypiperidin-1-yl)methanone
CID 102969287
(2-amino-5-nitro-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 104589005
(2-amino-3-pyridinyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63174890
(2-amino-3-pyridinyl)-[3-(dimethylamino)azetidin-1-yl]methanone
CID 171527020
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
CID 107524914
[(3S)-3-methoxypiperidin-1-yl]-(2-propan-2-yloxyphenyl)methanone
CID 95352949
(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257485
(2-chlorofuran-3-yl)-(3-methoxypiperidin-1-yl)methanone
CID 106687373
(2-amino-3-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62160129
(2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 62156557
(2-bromo-3-pyridinyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103752797

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone?
The IUPAC name of (2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone (CID 102969309) is (2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone is COC1CCCN(C(=O)c2cccnc2N)C1.
What is the InChIKey of (2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone?
The InChIKey is GVVNSSVQELOTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-9-4-3-7-15(8-9)12(16)10-5-2-6-14-11(10)13/h2,5-6,9H,3-4,7-8H2,1H3,(H2,13,14).
What are the key properties of (2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone?
(2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone has a molecular weight of 235.29 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 102969309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).