4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)aniline

C16H19N3O — CID 110282201

IUPAC4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)aniline
SMILESCc1cc(-c2ccc(N)cc2)cnc1N1CCOCC1
InChIInChI=1S/C16H19N3O/c1-12-10-14(13-2-4-15(17)5-3-13)11-18-16(12)19-6-8-20-9-7-19/h2-5,10-11H,6-9,17H2,1H3
InChIKeyLRLWRTKVCBTKIJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.48
Rot. Bonds2

About 4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)aniline

4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)aniline (PubChem CID 110282201) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)aniline.

Molecular Properties

Compound Name4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)aniline
PubChem CID110282201
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)aniline
SMILESCc1cc(-c2ccc(N)cc2)cnc1N1CCOCC1
InChIInChI=1S/C16H19N3O/c1-12-10-14(13-2-4-15(17)5-3-13)11-18-16(12)19-6-8-20-9-7-19/h2-5,10-11H,6-9,17H2,1H3
InChIKeyLRLWRTKVCBTKIJ-UHFFFAOYSA-N
XLogP2.48
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)phenol
CID 110282197
2-morpholin-4-ylpyridine-3,5-diamine
CID 21082858
2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol
CID 102544856
4-(5-tert-butylsulfanyl-3-methyl-2-pyridinyl)morpholine
CID 102544855
4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline
CID 89181841
5-fluoro-6-morpholin-4-ylpyridin-3-amine
CID 58575873
(5-methyl-6-morpholin-4-yl-3-pyridinyl)-phenylmethanone
CID 102544847
3-methyl-4-morpholin-4-ylaniline
CID 10607787
ethane;4-(3-methyl-2-pyridinyl)morpholine
CID 143966357
5-chloro-6-morpholin-4-ylpyridin-3-amine;hydron
CID 69345402
4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-1,4-oxazepane
CID 107082975
1-(5-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-one
CID 102544846

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)aniline?
The IUPAC name of 4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)aniline (CID 110282201) is 4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)aniline.
What is the SMILES notation for 4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)aniline?
The canonical SMILES for 4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)aniline is Cc1cc(-c2ccc(N)cc2)cnc1N1CCOCC1.
What is the InChIKey of 4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)aniline?
The InChIKey is LRLWRTKVCBTKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-10-14(13-2-4-15(17)5-3-13)11-18-16(12)19-6-8-20-9-7-19/h2-5,10-11H,6-9,17H2,1H3.
What are the key properties of 4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)aniline?
4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)aniline has a molecular weight of 269.35 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)aniline is sourced from PubChem (CID 110282201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).