5-fluoro-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine

C23H30FN5O3 — CID 66682867

IUPAC5-fluoro-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
SMILESCc1cccc(C=NNc2cc(N3CCOCC3)c(F)c(OCCN3CCOCC3)n2)c1
InChIInChI=1S/C23H30FN5O3/c1-18-3-2-4-19(15-18)17-25-27-21-16-20(29-8-12-31-13-9-29)22(24)23(26-21)32-14-7-28-5-10-30-11-6-28/h2-4,15-17H,5-14H2,1H3,(H,26,27)
InChIKeyZNGNFCDNYABSHD-UHFFFAOYSA-N
MW443.52 g/mol
LogP2.52
Rot. Bonds8

About 5-fluoro-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine

5-fluoro-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine (PubChem CID 66682867) has the molecular formula C23H30FN5O3 and a molecular weight of 443.52 g/mol. Its IUPAC name is 5-fluoro-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
PubChem CID66682867
Molecular FormulaC23H30FN5O3
Molecular Weight443.52 g/mol
Exact Mass443.23
IUPAC Name5-fluoro-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
SMILESCc1cccc(C=NNc2cc(N3CCOCC3)c(F)c(OCCN3CCOCC3)n2)c1
InChIInChI=1S/C23H30FN5O3/c1-18-3-2-4-19(15-18)17-25-27-21-16-20(29-8-12-31-13-9-29)22(24)23(26-21)32-14-7-28-5-10-30-11-6-28/h2-4,15-17H,5-14H2,1H3,(H,26,27)
InChIKeyZNGNFCDNYABSHD-UHFFFAOYSA-N
XLogP2.52
TPSA71.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-N-[(E)-(3-methylphenyl)methylideneamino]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-4-amine
CID 11178686
5-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 11189964
N-[(E)-(3-fluorophenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 11430320
3,5-difluoro-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 44230899
N-[[5-fluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine
CID 58060636
3-[2-[[4-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-3,5-difluoro-6-morpholin-4-yl-2-pyridinyl]oxy]ethyl]-1,3-oxazolidin-2-one
CID 59673870
1-[[3,5-difluoro-4-morpholin-4-yl-6-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-2-pyridinyl]oxy]-2-methylpropan-2-ol
CID 59673917
6-[2-[(5-fluoro-2-pyridinyl)oxy]ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 59673927
3,5-difluoro-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-pyridin-2-ylethoxy)pyridin-2-amine
CID 59673929
3,5-difluoro-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673932
6-[2-(4-fluorophenoxy)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 59673968
3,5-difluoro-4-morpholin-4-yl-N-[(E)-naphthalen-2-ylmethylideneamino]-6-(2-pyridin-2-ylethoxy)pyridin-2-amine
CID 59673972

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine?
The IUPAC name of 5-fluoro-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine (CID 66682867) is 5-fluoro-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine?
The canonical SMILES for 5-fluoro-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine is Cc1cccc(C=NNc2cc(N3CCOCC3)c(F)c(OCCN3CCOCC3)n2)c1.
What is the InChIKey of 5-fluoro-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine?
The InChIKey is ZNGNFCDNYABSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O3/c1-18-3-2-4-19(15-18)17-25-27-21-16-20(29-8-12-31-13-9-29)22(24)23(26-21)32-14-7-28-5-10-30-11-6-28/h2-4,15-17H,5-14H2,1H3,(H,26,27).
What are the key properties of 5-fluoro-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine?
5-fluoro-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine has a molecular weight of 443.52 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine is sourced from PubChem (CID 66682867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).