[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(5-methyl-3-pyridinyl)methanone

C18H22N4O2 — CID 110112057

IUPAC[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)N2CCOC(c3cccc(N(C)C)n3)C2)c1
InChIInChI=1S/C18H22N4O2/c1-13-9-14(11-19-10-13)18(23)22-7-8-24-16(12-22)15-5-4-6-17(20-15)21(2)3/h4-6,9-11,16H,7-8,12H2,1-3H3
InChIKeyBNQZKOHTDHFQGA-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.06
Rot. Bonds3

About [2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(5-methyl-3-pyridinyl)methanone

[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(5-methyl-3-pyridinyl)methanone (PubChem CID 110112057) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(5-methyl-3-pyridinyl)methanone
PubChem CID110112057
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)N2CCOC(c3cccc(N(C)C)n3)C2)c1
InChIInChI=1S/C18H22N4O2/c1-13-9-14(11-19-10-13)18(23)22-7-8-24-16(12-22)15-5-4-6-17(20-15)21(2)3/h4-6,9-11,16H,7-8,12H2,1-3H3
InChIKeyBNQZKOHTDHFQGA-UHFFFAOYSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 110097811
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 125008999
[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 125016156
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-thiophen-2-ylmethanone
CID 124997234
[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 124950048
1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-pyridin-3-yloxyethanone
CID 110112558
[2-[6-(dimethylamino)-2-methylpyrimidin-4-yl]morpholin-4-yl]-phenylmethanone
CID 110271867
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone
CID 124952383
[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 124944788
1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 110112560
[(2R)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124948273
1-[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 124940912

Frequently Asked Questions

What is the IUPAC name of [2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of [2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(5-methyl-3-pyridinyl)methanone (CID 110112057) is [2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for [2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(5-methyl-3-pyridinyl)methanone is Cc1cncc(C(=O)N2CCOC(c3cccc(N(C)C)n3)C2)c1.
What is the InChIKey of [2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(5-methyl-3-pyridinyl)methanone?
The InChIKey is BNQZKOHTDHFQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-9-14(11-19-10-13)18(23)22-7-8-24-16(12-22)15-5-4-6-17(20-15)21(2)3/h4-6,9-11,16H,7-8,12H2,1-3H3.
What are the key properties of [2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(5-methyl-3-pyridinyl)methanone?
[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(5-methyl-3-pyridinyl)methanone has a molecular weight of 326.40 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 110112057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).