(2-methoxy-3-pyridinyl)-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone

C17H20N4O2 — CID 124967355

IUPAC(2-methoxy-3-pyridinyl)-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCOc1ncccc1C(=O)N1CCC[C@H](c2ccnc(C)n2)C1
InChIInChI=1S/C17H20N4O2/c1-12-18-9-7-15(20-12)13-5-4-10-21(11-13)17(22)14-6-3-8-19-16(14)23-2/h3,6-9,13H,4-5,10-11H2,1-2H3/t13-/m0/s1
InChIKeyISGSCJBOZWZORF-ZDUSSCGKSA-N
MW312.37 g/mol
LogP2.21
Rot. Bonds3

About (2-methoxy-3-pyridinyl)-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone

(2-methoxy-3-pyridinyl)-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 124967355) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl)-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-3-pyridinyl)-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID124967355
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(2-methoxy-3-pyridinyl)-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCOc1ncccc1C(=O)N1CCC[C@H](c2ccnc(C)n2)C1
InChIInChI=1S/C17H20N4O2/c1-12-18-9-7-15(20-12)13-5-4-10-21(11-13)17(22)14-6-3-8-19-16(14)23-2/h3,6-9,13H,4-5,10-11H2,1-2H3/t13-/m0/s1
InChIKeyISGSCJBOZWZORF-ZDUSSCGKSA-N
XLogP2.21
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethoxy-3-pyridinyl)-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 125006022
(2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124942438
(2-methoxy-3-pyridinyl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 110114882
(2-methoxy-3-pyridinyl)-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514391
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 95767995
[3-(bromomethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 80660116
[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124968705
[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 175658969
cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110253739
[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 110114980
2H-benzotriazol-5-yl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110115037
1-[(3S)-1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]imidazolidin-2-one
CID 95591065

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-pyridinyl)-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methoxy-3-pyridinyl)-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 124967355) is (2-methoxy-3-pyridinyl)-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxy-3-pyridinyl)-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxy-3-pyridinyl)-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone is COc1ncccc1C(=O)N1CCC[C@H](c2ccnc(C)n2)C1.
What is the InChIKey of (2-methoxy-3-pyridinyl)-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is ISGSCJBOZWZORF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-18-9-7-15(20-12)13-5-4-10-21(11-13)17(22)14-6-3-8-19-16(14)23-2/h3,6-9,13H,4-5,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (2-methoxy-3-pyridinyl)-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
(2-methoxy-3-pyridinyl)-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 312.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-pyridinyl)-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124967355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).