4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]aniline

C21H27N3O3 — CID 90456484

IUPAC4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]aniline
SMILESCc1ccc(N)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1
InChIInChI=1S/C21H27N3O3/c1-15-2-3-17(22)13-19(15)16-12-20(24-6-10-26-11-7-24)21(23-14-16)27-18-4-8-25-9-5-18/h2-3,12-14,18H,4-11,22H2,1H3
InChIKeyIZAXNORGVXABLU-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.03
Rot. Bonds4

About 4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]aniline

4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]aniline (PubChem CID 90456484) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]aniline.

Molecular Properties

Compound Name4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]aniline
PubChem CID90456484
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]aniline
SMILESCc1ccc(N)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1
InChIInChI=1S/C21H27N3O3/c1-15-2-3-17(22)13-19(15)16-12-20(24-6-10-26-11-7-24)21(23-14-16)27-18-4-8-25-9-5-18/h2-3,12-14,18H,4-11,22H2,1H3
InChIKeyIZAXNORGVXABLU-UHFFFAOYSA-N
XLogP3.03
TPSA69.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]aniline
CID 90456808
N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]pyrrolidine-1-carboxamide
CID 155700271
N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 90461223
4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)aniline
CID 176803233
5-(5-amino-2-methylphenyl)-2-(oxan-4-ylamino)pyridine-3-carbonitrile
CID 118946273
9-(5-amino-2-methylphenyl)-6-methyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridin-6-ol
CID 166656655
N-[2-fluoro-4-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-3-(2-isocyanopropan-2-yl)pyrrolidine-1-carboxamide
CID 167395811
3-methyl-4-morpholin-4-ylaniline
CID 10607787
4-(5-bromo-2-cyclohexyloxy-3-pyridinyl)morpholine
CID 167395778
[3-(difluoromethyl)phenyl]-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylanilino]methanol
CID 138714541
4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)aniline
CID 110282201
3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline
CID 90408360

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]aniline?
The IUPAC name of 4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]aniline (CID 90456484) is 4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]aniline.
What is the SMILES notation for 4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]aniline?
The canonical SMILES for 4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]aniline is Cc1ccc(N)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1.
What is the InChIKey of 4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]aniline?
The InChIKey is IZAXNORGVXABLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15-2-3-17(22)13-19(15)16-12-20(24-6-10-26-11-7-24)21(23-14-16)27-18-4-8-25-9-5-18/h2-3,12-14,18H,4-11,22H2,1H3.
What are the key properties of 4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]aniline?
4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]aniline has a molecular weight of 369.47 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]aniline is sourced from PubChem (CID 90456484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).