N'-[(E)-2-fluoro-1-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]but-1-enyl]-N-methylidenemethanimidamide

C19H22FN5 — CID 145293410

IUPACN'-[(E)-2-fluoro-1-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]but-1-enyl]-N-methylidenemethanimidamide
SMILESC=N/C=N\C(NCc1cnc(-c2ccnc(C)c2)c(C)c1)=C(\F)CC
InChIInChI=1S/C19H22FN5/c1-5-17(20)19(25-12-21-4)24-11-15-8-13(2)18(23-10-15)16-6-7-22-14(3)9-16/h6-10,12,24H,4-5,11H2,1-3H3/b19-17+,25-12-
InChIKeyLUNIFVKHNQQOGP-XJGRMYMSSA-N
MW339.42 g/mol
LogP4.13
Rot. Bonds7

About N'-[(E)-2-fluoro-1-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]but-1-enyl]-N-methylidenemethanimidamide

N'-[(E)-2-fluoro-1-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]but-1-enyl]-N-methylidenemethanimidamide (PubChem CID 145293410) has the molecular formula C19H22FN5 and a molecular weight of 339.42 g/mol. Its IUPAC name is N'-[(E)-2-fluoro-1-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]but-1-enyl]-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-fluoro-1-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]but-1-enyl]-N-methylidenemethanimidamide
PubChem CID145293410
Molecular FormulaC19H22FN5
Molecular Weight339.42 g/mol
Exact Mass339.19
IUPAC NameN'-[(E)-2-fluoro-1-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]but-1-enyl]-N-methylidenemethanimidamide
SMILESC=N/C=N\C(NCc1cnc(-c2ccnc(C)c2)c(C)c1)=C(\F)CC
InChIInChI=1S/C19H22FN5/c1-5-17(20)19(25-12-21-4)24-11-15-8-13(2)18(23-10-15)16-6-7-22-14(3)9-16/h6-10,12,24H,4-5,11H2,1-3H3/b19-17+,25-12-
InChIKeyLUNIFVKHNQQOGP-XJGRMYMSSA-N
XLogP4.13
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-2-fluoro-3-[2-[2-(methylamino)ethyl]phenyl]-1-[[4-(2-methyl-4-pyridinyl)phenyl]methylamino]prop-1-enyl]-N-methylidenemethanimidamide
CID 145293584
N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-1-(4-phenyl-1,3-thiazol-2-yl)ethenamine
CID 145324737
2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
CID 149174065
N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-(5-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
CID 135335325
N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-(6-methyl-2-pyridinyl)pyrazole-1-carboxamide
CID 175087543
acetaldehyde;butane;ethane;5-ethyl-3-methyl-2-(2-methyl-4-pyridinyl)pyridine;formamide;2-methylprop-2-en-1-imine
CID 145324633
2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-pyridin-4-yl-3-pyridinyl)acetamide
CID 58447768
methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate
CID 155478844
N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
CID 118634361
N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(5-methyl-3-pyridinyl)isoquinolin-1-amine
CID 71617942
N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-9-oxofluorene-2-carboxamide
CID 134149975
N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylpyridine-3-carboxamide
CID 56597105

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-fluoro-1-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]but-1-enyl]-N-methylidenemethanimidamide?
The IUPAC name of N'-[(E)-2-fluoro-1-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]but-1-enyl]-N-methylidenemethanimidamide (CID 145293410) is N'-[(E)-2-fluoro-1-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]but-1-enyl]-N-methylidenemethanimidamide.
What is the SMILES notation for N'-[(E)-2-fluoro-1-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]but-1-enyl]-N-methylidenemethanimidamide?
The canonical SMILES for N'-[(E)-2-fluoro-1-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]but-1-enyl]-N-methylidenemethanimidamide is C=N/C=N\C(NCc1cnc(-c2ccnc(C)c2)c(C)c1)=C(\F)CC.
What is the InChIKey of N'-[(E)-2-fluoro-1-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]but-1-enyl]-N-methylidenemethanimidamide?
The InChIKey is LUNIFVKHNQQOGP-XJGRMYMSSA-N. The full InChI is InChI=1S/C19H22FN5/c1-5-17(20)19(25-12-21-4)24-11-15-8-13(2)18(23-10-15)16-6-7-22-14(3)9-16/h6-10,12,24H,4-5,11H2,1-3H3/b19-17+,25-12-.
What are the key properties of N'-[(E)-2-fluoro-1-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]but-1-enyl]-N-methylidenemethanimidamide?
N'-[(E)-2-fluoro-1-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]but-1-enyl]-N-methylidenemethanimidamide has a molecular weight of 339.42 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-fluoro-1-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]but-1-enyl]-N-methylidenemethanimidamide is sourced from PubChem (CID 145293410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).