N-[[3,5-difluoro-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine

C24H30F2N4O3 — CID 58060347

IUPACN-[[3,5-difluoro-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine
SMILESCc1cccc(/C=N/Cc2nc(N3CCOCC3)c(F)c(OCCN3CCOCC3)c2F)c1
InChIInChI=1S/C24H30F2N4O3/c1-18-3-2-4-19(15-18)16-27-17-20-21(25)23(33-14-7-29-5-10-31-11-6-29)22(26)24(28-20)30-8-12-32-13-9-30/h2-4,15-16H,5-14,17H2,1H3/b27-16+
InChIKeyRPWBSXUXRUKKDX-JVWAILMASA-N
MW460.53 g/mol
LogP2.83
Rot. Bonds8

About N-[[3,5-difluoro-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine

N-[[3,5-difluoro-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine (PubChem CID 58060347) has the molecular formula C24H30F2N4O3 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[[3,5-difluoro-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine.

Molecular Properties

Compound NameN-[[3,5-difluoro-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine
PubChem CID58060347
Molecular FormulaC24H30F2N4O3
Molecular Weight460.53 g/mol
Exact Mass460.23
IUPAC NameN-[[3,5-difluoro-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine
SMILESCc1cccc(/C=N/Cc2nc(N3CCOCC3)c(F)c(OCCN3CCOCC3)c2F)c1
InChIInChI=1S/C24H30F2N4O3/c1-18-3-2-4-19(15-18)16-27-17-20-21(25)23(33-14-7-29-5-10-31-11-6-29)22(26)24(28-20)30-8-12-32-13-9-30/h2-4,15-16H,5-14,17H2,1H3/b27-16+
InChIKeyRPWBSXUXRUKKDX-JVWAILMASA-N
XLogP2.83
TPSA59.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-difluoro-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine?
The IUPAC name of N-[[3,5-difluoro-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine (CID 58060347) is N-[[3,5-difluoro-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine.
What is the SMILES notation for N-[[3,5-difluoro-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine?
The canonical SMILES for N-[[3,5-difluoro-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine is Cc1cccc(/C=N/Cc2nc(N3CCOCC3)c(F)c(OCCN3CCOCC3)c2F)c1.
What is the InChIKey of N-[[3,5-difluoro-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine?
The InChIKey is RPWBSXUXRUKKDX-JVWAILMASA-N. The full InChI is InChI=1S/C24H30F2N4O3/c1-18-3-2-4-19(15-18)16-27-17-20-21(25)23(33-14-7-29-5-10-31-11-6-29)22(26)24(28-20)30-8-12-32-13-9-30/h2-4,15-16H,5-14,17H2,1H3/b27-16+.
What are the key properties of N-[[3,5-difluoro-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine?
N-[[3,5-difluoro-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine has a molecular weight of 460.53 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-difluoro-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]-1-(3-methylphenyl)methanimine is sourced from PubChem (CID 58060347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).