[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-pyridin-2-ylmethanone

C17H20N4O2 — CID 110113908

IUPAC[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-pyridin-2-ylmethanone
SMILESNc1cc(CCC2CN(C(=O)c3ccccn3)CCO2)ccn1
InChIInChI=1S/C17H20N4O2/c18-16-11-13(6-8-20-16)4-5-14-12-21(9-10-23-14)17(22)15-3-1-2-7-19-15/h1-3,6-8,11,14H,4-5,9-10,12H2,(H2,18,20)
InChIKeyHWKVQXWJESUPGH-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.53
Rot. Bonds4

About [2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-pyridin-2-ylmethanone

[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-pyridin-2-ylmethanone (PubChem CID 110113908) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-pyridin-2-ylmethanone
PubChem CID110113908
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-pyridin-2-ylmethanone
SMILESNc1cc(CCC2CN(C(=O)c3ccccn3)CCO2)ccn1
InChIInChI=1S/C17H20N4O2/c18-16-11-13(6-8-20-16)4-5-14-12-21(9-10-23-14)17(22)15-3-1-2-7-19-15/h1-3,6-8,11,14H,4-5,9-10,12H2,(H2,18,20)
InChIKeyHWKVQXWJESUPGH-UHFFFAOYSA-N
XLogP1.53
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 110113951
[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone
CID 125000995
(E)-1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 110113905
[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 124965509
1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-phenoxypropan-1-one
CID 110113973
[(2S)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124969041
[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 110113969
1-[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 110113956
[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 110119292
4-[2-[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]pyridin-2-amine
CID 124965523
[(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95969181
1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-fluorophenoxy)ethanone
CID 125021853

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-pyridin-2-ylmethanone?
The IUPAC name of [2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-pyridin-2-ylmethanone (CID 110113908) is [2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-pyridin-2-ylmethanone is Nc1cc(CCC2CN(C(=O)c3ccccn3)CCO2)ccn1.
What is the InChIKey of [2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-pyridin-2-ylmethanone?
The InChIKey is HWKVQXWJESUPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c18-16-11-13(6-8-20-16)4-5-14-12-21(9-10-23-14)17(22)15-3-1-2-7-19-15/h1-3,6-8,11,14H,4-5,9-10,12H2,(H2,18,20).
What are the key properties of [2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-pyridin-2-ylmethanone?
[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-pyridin-2-ylmethanone has a molecular weight of 312.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 110113908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).