2-[(2-methyl-4-pyridinyl)amino]-1-morpholin-4-ylethanone

C12H17N3O2 — CID 133490707

IUPAC2-[(2-methyl-4-pyridinyl)amino]-1-morpholin-4-ylethanone
SMILESCc1cc(NCC(=O)N2CCOCC2)ccn1
InChIInChI=1S/C12H17N3O2/c1-10-8-11(2-3-13-10)14-9-12(16)15-4-6-17-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,13,14)
InChIKeyLXPSISOFRLKDKX-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.66
Rot. Bonds3

About 2-[(2-methyl-4-pyridinyl)amino]-1-morpholin-4-ylethanone

2-[(2-methyl-4-pyridinyl)amino]-1-morpholin-4-ylethanone (PubChem CID 133490707) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[(2-methyl-4-pyridinyl)amino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(2-methyl-4-pyridinyl)amino]-1-morpholin-4-ylethanone
PubChem CID133490707
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[(2-methyl-4-pyridinyl)amino]-1-morpholin-4-ylethanone
SMILESCc1cc(NCC(=O)N2CCOCC2)ccn1
InChIInChI=1S/C12H17N3O2/c1-10-8-11(2-3-13-10)14-9-12(16)15-4-6-17-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,13,14)
InChIKeyLXPSISOFRLKDKX-UHFFFAOYSA-N
XLogP0.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-tert-butylanilino)-1-morpholin-4-ylethanone
CID 59090711
2-(4-bromo-3,5-dimethylanilino)-1-morpholin-4-ylethanone
CID 103579710
2-(3-chloroanilino)-1-morpholin-4-ylethanone
CID 28580621
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-morpholin-4-ylethanone
CID 108994230
2-[(1-methylpyrazol-4-yl)amino]-1-morpholin-4-ylethanone
CID 79778249
2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone
CID 113242520
2-[(2-amino-4-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113406477
methyl 4-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate
CID 26417352
2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone
CID 28579517
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone
CID 113406418
(1S,6R)-N-(2-methyl-4-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 124621745
2-(1-benzothiophen-5-ylamino)-1-morpholin-4-ylethanone
CID 60706036

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-4-pyridinyl)amino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(2-methyl-4-pyridinyl)amino]-1-morpholin-4-ylethanone (CID 133490707) is 2-[(2-methyl-4-pyridinyl)amino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(2-methyl-4-pyridinyl)amino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(2-methyl-4-pyridinyl)amino]-1-morpholin-4-ylethanone is Cc1cc(NCC(=O)N2CCOCC2)ccn1.
What is the InChIKey of 2-[(2-methyl-4-pyridinyl)amino]-1-morpholin-4-ylethanone?
The InChIKey is LXPSISOFRLKDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-10-8-11(2-3-13-10)14-9-12(16)15-4-6-17-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,13,14).
What are the key properties of 2-[(2-methyl-4-pyridinyl)amino]-1-morpholin-4-ylethanone?
2-[(2-methyl-4-pyridinyl)amino]-1-morpholin-4-ylethanone has a molecular weight of 235.29 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-4-pyridinyl)amino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 133490707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).