[2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone

C16H17N3O2 — CID 74233897

IUPAC[2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1cncc(-c2cc(C(=O)N3CCOCC3)ccn2)c1
InChIInChI=1S/C16H17N3O2/c1-12-8-14(11-17-10-12)15-9-13(2-3-18-15)16(20)19-4-6-21-7-5-19/h2-3,8-11H,4-7H2,1H3
InChIKeyAAQROBDQJXITHQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.92
Rot. Bonds2

About [2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone

[2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 74233897) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is [2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone
PubChem CID74233897
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name[2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1cncc(-c2cc(C(=O)N3CCOCC3)ccn2)c1
InChIInChI=1S/C16H17N3O2/c1-12-8-14(11-17-10-12)15-9-13(2-3-18-15)16(20)19-4-6-21-7-5-19/h2-3,8-11H,4-7H2,1H3
InChIKeyAAQROBDQJXITHQ-UHFFFAOYSA-N
XLogP1.92
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
[2-(3-chloro-4-fluorophenyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 71187412
3-methyl-5-(4-methyl-2-pyridinyl)pyridine
CID 54101301
[2-(5-amino-3-pyridinyl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 74232037
morpholin-4-yl(pyridazin-4-yl)methanone
CID 115736040
[3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindol-5-yl]-morpholin-4-ylmethanone
CID 137367091
1-[4-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethanone
CID 42845751
[3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
CID 91832951
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
1-butyl-3-[4-[4-(morpholine-4-carbonyl)-2-pyridinyl]phenyl]urea
CID 74247537
2-(6-methyl-2-pyridinyl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]ethanone
CID 58585961
ethane;(6-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 143890558

Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone (CID 74233897) is [2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone is Cc1cncc(-c2cc(C(=O)N3CCOCC3)ccn2)c1.
What is the InChIKey of [2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is AAQROBDQJXITHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12-8-14(11-17-10-12)15-9-13(2-3-18-15)16(20)19-4-6-21-7-5-19/h2-3,8-11H,4-7H2,1H3.
What are the key properties of [2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone?
[2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 283.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 74233897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).