[4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride

C20H18ClF2N3O2 — CID 159167467

IUPAC[4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride
SMILES[Cl-].[NH3+]Cc1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C20H17F2N3O2.ClH/c21-15-5-7-17(8-6-15)27-20-18(9-16(22)12-25-20)19(26)24-11-14-3-1-13(10-23)2-4-14;/h1-9,12H,10-11,23H2,(H,24,26);1H
InChIKeyLVECABXVDSMEMA-UHFFFAOYSA-N
MW405.83 g/mol
LogP-0.17
Rot. Bonds6

About [4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride

[4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride (PubChem CID 159167467) has the molecular formula C20H18ClF2N3O2 and a molecular weight of 405.83 g/mol. Its IUPAC name is [4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride.

Molecular Properties

Compound Name[4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride
PubChem CID159167467
Molecular FormulaC20H18ClF2N3O2
Molecular Weight405.83 g/mol
Exact Mass405.11
IUPAC Name[4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride
SMILES[Cl-].[NH3+]Cc1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C20H17F2N3O2.ClH/c21-15-5-7-17(8-6-15)27-20-18(9-16(22)12-25-20)19(26)24-11-14-3-1-13(10-23)2-4-14;/h1-9,12H,10-11,23H2,(H,24,26);1H
InChIKeyLVECABXVDSMEMA-UHFFFAOYSA-N
XLogP-0.17
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.83
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride with MolForge

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Related Compounds

4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid;methyl 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoate
CID 158285072
5-fluoro-2-(4-fluorophenoxy)-N-[(4-formyl-3-methylphenyl)methyl]pyridine-3-carboxamide
CID 89207947
5-fluoro-2-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide
CID 142274034
4-[[[5-fluoro-2-(4-phenylmethoxyphenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid
CID 91108177
4-[[[5-fluoro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid
CID 69051381
N-benzyl-2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carboxamide
CID 141112093
4-[[[2-(4-cyclopentylphenoxy)-5-fluoropyridine-3-carbonyl]amino]methyl]benzoic acid
CID 69047562
4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid
CID 58905325
2-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid
CID 141335128
[2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]amino]-2-oxoethyl]azanium chloride
CID 158441058
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 22612296
4-[[[2-(3-ethynylphenoxy)-5-fluoropyridine-3-carbonyl]amino]methyl]benzoic acid
CID 87672112

Frequently Asked Questions

What is the IUPAC name of [4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride?
The IUPAC name of [4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride (CID 159167467) is [4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride.
What is the SMILES notation for [4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride?
The canonical SMILES for [4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride is [Cl-].[NH3+]Cc1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1.
What is the InChIKey of [4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride?
The InChIKey is LVECABXVDSMEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2.ClH/c21-15-5-7-17(8-6-15)27-20-18(9-16(22)12-25-20)19(26)24-11-14-3-1-13(10-23)2-4-14;/h1-9,12H,10-11,23H2,(H,24,26);1H.
What are the key properties of [4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride?
[4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride has a molecular weight of 405.83 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride is sourced from PubChem (CID 159167467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).