2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carbaldehyde

C18H20FN3O2 — CID 44592217

IUPAC2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carbaldehyde
SMILESCc1cc(F)ccc1NCc1cc(C=O)cc(N2CCOCC2)n1
InChIInChI=1S/C18H20FN3O2/c1-13-8-15(19)2-3-17(13)20-11-16-9-14(12-23)10-18(21-16)22-4-6-24-7-5-22/h2-3,8-10,12,20H,4-7,11H2,1H3
InChIKeyUJBSUWVIYXFEJC-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.79
Rot. Bonds5

About 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carbaldehyde

2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carbaldehyde (PubChem CID 44592217) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carbaldehyde
PubChem CID44592217
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carbaldehyde
SMILESCc1cc(F)ccc1NCc1cc(C=O)cc(N2CCOCC2)n1
InChIInChI=1S/C18H20FN3O2/c1-13-8-15(19)2-3-17(13)20-11-16-9-14(12-23)10-18(21-16)22-4-6-24-7-5-22/h2-3,8-10,12,20H,4-7,11H2,1H3
InChIKeyUJBSUWVIYXFEJC-UHFFFAOYSA-N
XLogP2.79
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-2-propyl-pyridine-3-carboxylic acid amide
CID 67286956
7-Morpholin-4-yl-2-phenyl-[1,8]naphthyridin-4-ol
CID 11312833
6-fluoro-N-[2-(4-fluoropiperidin-1-yl)ethyl]-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide
CID 162651840
6-fluoro-2-(3-morpholin-4-ylpropylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 162655834
6-fluoro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 162663585
N-(2,6-Di-4-morpholinyl-3-pyridinyl)-4-methylbenzamide
CID 2741372
N-butyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 150999561
2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-propylpyrimidine-4-carboxamide
CID 153321084
N-ethyl-2-[methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 153321093
BRD4 BD1 ligand PB006
CID 176445531
4-fluoro-N-(6-morpholino-3-pyridinyl)benzenecarboxamide
CID 3842094
2-((4-Fluoro-2-methylphenylamino)methyl)-6-morpholinoisonicotinic acid
CID 44138128

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carbaldehyde?
The IUPAC name of 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carbaldehyde (CID 44592217) is 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carbaldehyde.
What is the SMILES notation for 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carbaldehyde?
The canonical SMILES for 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carbaldehyde is Cc1cc(F)ccc1NCc1cc(C=O)cc(N2CCOCC2)n1.
What is the InChIKey of 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carbaldehyde?
The InChIKey is UJBSUWVIYXFEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-13-8-15(19)2-3-17(13)20-11-16-9-14(12-23)10-18(21-16)22-4-6-24-7-5-22/h2-3,8-10,12,20H,4-7,11H2,1H3.
What are the key properties of 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carbaldehyde?
2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carbaldehyde has a molecular weight of 329.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-ylpyridine-4-carbaldehyde is sourced from PubChem (CID 44592217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).