2-methoxy-2-methyl-1-[3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one

C20H26N4O2 — CID 110111589

IUPAC2-methoxy-2-methyl-1-[3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one
SMILESCOC(C)(C)C(=O)N1CCCC(c2ccnc(Nc3ccccn3)c2)C1
InChIInChI=1S/C20H26N4O2/c1-20(2,26-3)19(25)24-12-6-7-16(14-24)15-9-11-22-18(13-15)23-17-8-4-5-10-21-17/h4-5,8-11,13,16H,6-7,12,14H2,1-3H3,(H,21,22,23)
InChIKeyBGENOFLFZOVQRL-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.35
Rot. Bonds5

About 2-methoxy-2-methyl-1-[3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one

2-methoxy-2-methyl-1-[3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one (PubChem CID 110111589) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-[3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methoxy-2-methyl-1-[3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one
PubChem CID110111589
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-methoxy-2-methyl-1-[3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one
SMILESCOC(C)(C)C(=O)N1CCCC(c2ccnc(Nc3ccccn3)c2)C1
InChIInChI=1S/C20H26N4O2/c1-20(2,26-3)19(25)24-12-6-7-16(14-24)15-9-11-22-18(13-15)23-17-8-4-5-10-21-17/h4-5,8-11,13,16H,6-7,12,14H2,1-3H3,(H,21,22,23)
InChIKeyBGENOFLFZOVQRL-UHFFFAOYSA-N
XLogP3.35
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-2-methyl-1-[3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)-[(3R)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 125013777
N-methyl-2-[(3S)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide
CID 124991618
2-methoxy-2-methyl-1-[(3R)-3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 125003739
2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one
CID 110256044
(1-methylimidazol-4-yl)-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 110111745
[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-pyridazin-3-ylmethanone
CID 110111803
2-methoxy-1-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95820261
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 125007244
(E)-4-(dimethylamino)-1-[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]but-2-en-1-one
CID 132765628
2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 125022184
cyclopentyl-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 95820279
N-pyridin-2-yl-4-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyridin-2-amine
CID 124949904

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-1-[3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methoxy-2-methyl-1-[3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one (CID 110111589) is 2-methoxy-2-methyl-1-[3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methoxy-2-methyl-1-[3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methoxy-2-methyl-1-[3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one is COC(C)(C)C(=O)N1CCCC(c2ccnc(Nc3ccccn3)c2)C1.
What is the InChIKey of 2-methoxy-2-methyl-1-[3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one?
The InChIKey is BGENOFLFZOVQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-20(2,26-3)19(25)24-12-6-7-16(14-24)15-9-11-22-18(13-15)23-17-8-4-5-10-21-17/h4-5,8-11,13,16H,6-7,12,14H2,1-3H3,(H,21,22,23).
What are the key properties of 2-methoxy-2-methyl-1-[3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one?
2-methoxy-2-methyl-1-[3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one has a molecular weight of 354.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-1-[3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110111589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).