1H-indol-2-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone

C20H22N4O2 — CID 110113526

IUPAC1H-indol-2-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
SMILESCNc1cc(C)nc(C2CN(C(=O)c3cc4ccccc4[nH]3)CCO2)c1
InChIInChI=1S/C20H22N4O2/c1-13-9-15(21-2)11-17(22-13)19-12-24(7-8-26-19)20(25)18-10-14-5-3-4-6-16(14)23-18/h3-6,9-11,19,23H,7-8,12H2,1-2H3,(H,21,22)
InChIKeyNYNMLZOJJGBMAF-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.13
Rot. Bonds3

About 1H-indol-2-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone

1H-indol-2-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone (PubChem CID 110113526) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1H-indol-2-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
PubChem CID110113526
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1H-indol-2-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
SMILESCNc1cc(C)nc(C2CN(C(=O)c3cc4ccccc4[nH]3)CCO2)c1
InChIInChI=1S/C20H22N4O2/c1-13-9-15(21-2)11-17(22-13)19-12-24(7-8-26-19)20(25)18-10-14-5-3-4-6-16(14)23-18/h3-6,9-11,19,23H,7-8,12H2,1-2H3,(H,21,22)
InChIKeyNYNMLZOJJGBMAF-UHFFFAOYSA-N
XLogP3.13
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 125015560
2H-benzotriazol-5-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 155901308
(E)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 124951344
(5-fluoro-1H-indol-2-yl)-[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124982715
[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124967445
(1-ethylpyrazol-4-yl)-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 110113502
[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124993388
3-(3-fluorophenyl)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124960389
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 124955633
[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 124983966
1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124990126

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone (CID 110113526) is 1H-indol-2-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone is CNc1cc(C)nc(C2CN(C(=O)c3cc4ccccc4[nH]3)CCO2)c1.
What is the InChIKey of 1H-indol-2-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The InChIKey is NYNMLZOJJGBMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-9-15(21-2)11-17(22-13)19-12-24(7-8-26-19)20(25)18-10-14-5-3-4-6-16(14)23-18/h3-6,9-11,19,23H,7-8,12H2,1-2H3,(H,21,22).
What are the key properties of 1H-indol-2-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone?
1H-indol-2-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone has a molecular weight of 350.42 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone is sourced from PubChem (CID 110113526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).