[2-(methylamino)-4-pyridinyl]-(3-methylmorpholin-4-yl)methanone

C12H17N3O2 — CID 55047498

IUPAC[2-(methylamino)-4-pyridinyl]-(3-methylmorpholin-4-yl)methanone
SMILESCNc1cc(C(=O)N2CCOCC2C)ccn1
InChIInChI=1S/C12H17N3O2/c1-9-8-17-6-5-15(9)12(16)10-3-4-14-11(7-10)13-2/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,14)
InChIKeyFGXIGRPKWOMVAS-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.98
Rot. Bonds2

About [2-(methylamino)-4-pyridinyl]-(3-methylmorpholin-4-yl)methanone

[2-(methylamino)-4-pyridinyl]-(3-methylmorpholin-4-yl)methanone (PubChem CID 55047498) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is [2-(methylamino)-4-pyridinyl]-(3-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[2-(methylamino)-4-pyridinyl]-(3-methylmorpholin-4-yl)methanone
PubChem CID55047498
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name[2-(methylamino)-4-pyridinyl]-(3-methylmorpholin-4-yl)methanone
SMILESCNc1cc(C(=O)N2CCOCC2C)ccn1
InChIInChI=1S/C12H17N3O2/c1-9-8-17-6-5-15(9)12(16)10-3-4-14-11(7-10)13-2/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,14)
InChIKeyFGXIGRPKWOMVAS-UHFFFAOYSA-N
XLogP0.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70772603
(2-bromo-4-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832524
[2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone
CID 62172868
[2-(methylamino)-3-pyridinyl]-(3-methylmorpholin-4-yl)methanone
CID 62168003
(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 110292238
[2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62181147
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 94367175
[3-(methylamino)-4-nitrophenyl]-(3-methylmorpholin-4-yl)methanone
CID 62680319
(6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 43429048
(3-methylmorpholin-4-yl)-(3-phenylphenyl)methanone
CID 110292242
[4-(ethylamino)-2-pyridinyl]-(3-methylmorpholin-4-yl)methanone
CID 62167827
(3,4-dipropoxyphenyl)-[(3S)-3-methylmorpholin-4-yl]methanone
CID 51938117

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-4-pyridinyl]-(3-methylmorpholin-4-yl)methanone?
The IUPAC name of [2-(methylamino)-4-pyridinyl]-(3-methylmorpholin-4-yl)methanone (CID 55047498) is [2-(methylamino)-4-pyridinyl]-(3-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [2-(methylamino)-4-pyridinyl]-(3-methylmorpholin-4-yl)methanone?
The canonical SMILES for [2-(methylamino)-4-pyridinyl]-(3-methylmorpholin-4-yl)methanone is CNc1cc(C(=O)N2CCOCC2C)ccn1.
What is the InChIKey of [2-(methylamino)-4-pyridinyl]-(3-methylmorpholin-4-yl)methanone?
The InChIKey is FGXIGRPKWOMVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-8-17-6-5-15(9)12(16)10-3-4-14-11(7-10)13-2/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,14).
What are the key properties of [2-(methylamino)-4-pyridinyl]-(3-methylmorpholin-4-yl)methanone?
[2-(methylamino)-4-pyridinyl]-(3-methylmorpholin-4-yl)methanone has a molecular weight of 235.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-4-pyridinyl]-(3-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 55047498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).