[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrrol-2-yl)methanone

C16H20N4O2 — CID 110112464

IUPAC[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCNc1cccc(C2CN(C(=O)c3cccn3C)CCO2)n1
InChIInChI=1S/C16H20N4O2/c1-17-15-7-3-5-12(18-15)14-11-20(9-10-22-14)16(21)13-6-4-8-19(13)2/h3-8,14H,9-11H2,1-2H3,(H,17,18)
InChIKeyNYLYSNXKVVOKCR-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.68
Rot. Bonds3

About [2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrrol-2-yl)methanone

[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 110112464) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID110112464
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCNc1cccc(C2CN(C(=O)c3cccn3C)CCO2)n1
InChIInChI=1S/C16H20N4O2/c1-17-15-7-3-5-12(18-15)14-11-20(9-10-22-14)16(21)13-6-4-8-19(13)2/h3-8,14H,9-11H2,1-2H3,(H,17,18)
InChIKeyNYLYSNXKVVOKCR-UHFFFAOYSA-N
XLogP1.68
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 124944788
[(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 125003170
1H-imidazol-5-yl-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 125016046
(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124992900
(1-aminocyclopentyl)-[(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124962525
[3-(methoxymethyl)phenyl]-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124952972
1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 124986100
1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124979682
[2-(methylamino)-4-pyridinyl]-[(2R)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone
CID 125007616
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 110112458
(1-methylimidazol-2-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 95847621
[2-(methylamino)-4-pyridinyl]-[(2S)-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]methanone
CID 124958881

Frequently Asked Questions

What is the IUPAC name of [2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrrol-2-yl)methanone (CID 110112464) is [2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrrol-2-yl)methanone is CNc1cccc(C2CN(C(=O)c3cccn3C)CCO2)n1.
What is the InChIKey of [2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is NYLYSNXKVVOKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-17-15-7-3-5-12(18-15)14-11-20(9-10-22-14)16(21)13-6-4-8-19(13)2/h3-8,14H,9-11H2,1-2H3,(H,17,18).
What are the key properties of [2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrrol-2-yl)methanone?
[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 110112464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).