(2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone

C16H18N4O2 — CID 124942438

IUPAC(2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
SMILESCOc1ncccc1C(=O)N1CCC[C@H](c2ccncn2)C1
InChIInChI=1S/C16H18N4O2/c1-22-15-13(5-2-7-18-15)16(21)20-9-3-4-12(10-20)14-6-8-17-11-19-14/h2,5-8,11-12H,3-4,9-10H2,1H3/t12-/m0/s1
InChIKeyAUYHZHSGYQUALO-LBPRGKRZSA-N
MW298.35 g/mol
LogP1.90
Rot. Bonds3

About (2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone

(2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone (PubChem CID 124942438) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
PubChem CID124942438
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name(2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
SMILESCOc1ncccc1C(=O)N1CCC[C@H](c2ccncn2)C1
InChIInChI=1S/C16H18N4O2/c1-22-15-13(5-2-7-18-15)16(21)20-9-3-4-12(10-20)14-6-8-17-11-19-14/h2,5-8,11-12H,3-4,9-10H2,1H3/t12-/m0/s1
InChIKeyAUYHZHSGYQUALO-LBPRGKRZSA-N
XLogP1.90
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-3-pyridinyl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 110114882
(2-methoxy-3-pyridinyl)-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 124967355
(2-methoxy-3-pyridinyl)-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514391
[4-(3-methoxy-2-pyridinyl)phenyl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 126448387
(2-methoxy-3-pyridinyl)-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97284377
[3-(bromomethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 80660116
[2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 99994862
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 95767995
6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 77083127
(2-ethoxy-3-pyridinyl)-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 125006022
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 126440128
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-pyrimidin-4-ylpiperidin-1-yl]methanone?
The IUPAC name of (2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone (CID 124942438) is (2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The canonical SMILES for (2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone is COc1ncccc1C(=O)N1CCC[C@H](c2ccncn2)C1.
What is the InChIKey of (2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The InChIKey is AUYHZHSGYQUALO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-22-15-13(5-2-7-18-15)16(21)20-9-3-4-12(10-20)14-6-8-17-11-19-14/h2,5-8,11-12H,3-4,9-10H2,1H3/t12-/m0/s1.
What are the key properties of (2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
(2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone has a molecular weight of 298.35 g/mol, XLogP of 1.90, 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-pyrimidin-4-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 124942438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).