1-(2-amino-5-methyl-3-pyridinyl)-2-morpholin-3-ylethanone

C12H17N3O2 — CID 116595819

IUPAC1-(2-amino-5-methyl-3-pyridinyl)-2-morpholin-3-ylethanone
SMILESCc1cnc(N)c(C(=O)CC2COCCN2)c1
InChIInChI=1S/C12H17N3O2/c1-8-4-10(12(13)15-6-8)11(16)5-9-7-17-3-2-14-9/h4,6,9,14H,2-3,5,7H2,1H3,(H2,13,15)
InChIKeyFPQPQBSGTLRALK-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.53
Rot. Bonds3

About 1-(2-amino-5-methyl-3-pyridinyl)-2-morpholin-3-ylethanone

1-(2-amino-5-methyl-3-pyridinyl)-2-morpholin-3-ylethanone (PubChem CID 116595819) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(2-amino-5-methyl-3-pyridinyl)-2-morpholin-3-ylethanone.

Molecular Properties

Compound Name1-(2-amino-5-methyl-3-pyridinyl)-2-morpholin-3-ylethanone
PubChem CID116595819
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-(2-amino-5-methyl-3-pyridinyl)-2-morpholin-3-ylethanone
SMILESCc1cnc(N)c(C(=O)CC2COCCN2)c1
InChIInChI=1S/C12H17N3O2/c1-8-4-10(12(13)15-6-8)11(16)5-9-7-17-3-2-14-9/h4,6,9,14H,2-3,5,7H2,1H3,(H2,13,15)
InChIKeyFPQPQBSGTLRALK-UHFFFAOYSA-N
XLogP0.53
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-5-methyl-3-pyridinyl)-morpholin-3-ylmethanone
CID 116576396
1-(2-amino-5-methyl-3-pyridinyl)-2-morpholin-2-ylethanone
CID 116586378
1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone
CID 116919891
1-(5-bromo-2-methylphenyl)-2-morpholin-3-ylethanone
CID 116919919
1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone
CID 81465797
1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone
CID 81466302
1-(5-methylthiophen-3-yl)-2-morpholin-3-ylethanone
CID 116595850
1-(5-ethoxy-3-pyridinyl)-2-morpholin-3-ylethanone
CID 116595835
(2-amino-5-methyl-3-pyridinyl)-(azetidin-3-yl)methanone
CID 116583846
2-[(3R)-morpholin-3-yl]-1-phenylethanone
CID 95396636
2-morpholin-3-yl-1-phenylethanone
CID 14753828
2-morpholin-3-yl-1-pyridin-3-ylethanone
CID 115777328

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methyl-3-pyridinyl)-2-morpholin-3-ylethanone?
The IUPAC name of 1-(2-amino-5-methyl-3-pyridinyl)-2-morpholin-3-ylethanone (CID 116595819) is 1-(2-amino-5-methyl-3-pyridinyl)-2-morpholin-3-ylethanone.
What is the SMILES notation for 1-(2-amino-5-methyl-3-pyridinyl)-2-morpholin-3-ylethanone?
The canonical SMILES for 1-(2-amino-5-methyl-3-pyridinyl)-2-morpholin-3-ylethanone is Cc1cnc(N)c(C(=O)CC2COCCN2)c1.
What is the InChIKey of 1-(2-amino-5-methyl-3-pyridinyl)-2-morpholin-3-ylethanone?
The InChIKey is FPQPQBSGTLRALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-4-10(12(13)15-6-8)11(16)5-9-7-17-3-2-14-9/h4,6,9,14H,2-3,5,7H2,1H3,(H2,13,15).
What are the key properties of 1-(2-amino-5-methyl-3-pyridinyl)-2-morpholin-3-ylethanone?
1-(2-amino-5-methyl-3-pyridinyl)-2-morpholin-3-ylethanone has a molecular weight of 235.29 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methyl-3-pyridinyl)-2-morpholin-3-ylethanone is sourced from PubChem (CID 116595819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).