[2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]amino]-2-oxoethyl]azanium chloride

C20H23ClF2N4O3 — CID 158441058

IUPAC[2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]amino]-2-oxoethyl]azanium chloride
SMILES[Cl-].[NH3+]CC(=O)NC1CCC(NC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)CC1
InChIInChI=1S/C20H22F2N4O3.ClH/c21-12-1-7-16(8-2-12)29-20-17(9-13(22)11-24-20)19(28)26-15-5-3-14(4-6-15)25-18(27)10-23;/h1-2,7-9,11,14-15H,3-6,10,23H2,(H,25,27)(H,26,28);1H
InChIKeyMVDKWNRKRKLVBA-UHFFFAOYSA-N
MW440.88 g/mol
LogP-1.44
Rot. Bonds6

About [2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]amino]-2-oxoethyl]azanium chloride

[2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]amino]-2-oxoethyl]azanium chloride (PubChem CID 158441058) has the molecular formula C20H23ClF2N4O3 and a molecular weight of 440.88 g/mol. Its IUPAC name is [2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]amino]-2-oxoethyl]azanium chloride.

Molecular Properties

Compound Name[2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]amino]-2-oxoethyl]azanium chloride
PubChem CID158441058
Molecular FormulaC20H23ClF2N4O3
Molecular Weight440.88 g/mol
Exact Mass440.14
IUPAC Name[2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]amino]-2-oxoethyl]azanium chloride
SMILES[Cl-].[NH3+]CC(=O)NC1CCC(NC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)CC1
InChIInChI=1S/C20H22F2N4O3.ClH/c21-12-1-7-16(8-2-12)29-20-17(9-13(22)11-24-20)19(28)26-15-5-3-14(4-6-15)25-18(27)10-23;/h1-2,7-9,11,14-15H,3-6,10,23H2,(H,25,27)(H,26,28);1H
InChIKeyMVDKWNRKRKLVBA-UHFFFAOYSA-N
XLogP-1.44
TPSA107.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.88
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]amino]-2-oxoethyl]azanium chloride with MolForge

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Related Compounds

N-[4-[(2,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 10005507
[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium
CID 58591179
[4-[[2-(1,3-benzodioxol-5-yloxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium
CID 58591188
5-fluoro-2-(4-fluorophenoxy)-N-[4-[(3-hydroxyphenyl)methylcarbamoylamino]cyclohexyl]pyridine-3-carboxamide
CID 10006011
4-[[4-[2-[5-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]-2-oxoethyl]cyclohexyl]amino]-4-oxobutanoic acid
CID 67561163
N-[(1R,5S)-8-[2-(chloroamino)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 58591184
5-fluoro-2-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide
CID 142274034
[4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride
CID 159167467
N-(1-acetylpiperidin-4-yl)-5-fluoro-2-(3-methyl-4-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 59984476
N-[4-(chloroamino)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide;5-fluoro-2-(3-methylsulfanylphenoxy)-N-[4-(propanoylamino)cyclohexyl]pyridine-3-carboxamide
CID 159642889
4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 22058409
N-[4-(chloroamino)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide;5-fluoro-N-[4-[(2-methoxyacetyl)amino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 159168206

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]amino]-2-oxoethyl]azanium chloride?
The IUPAC name of [2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]amino]-2-oxoethyl]azanium chloride (CID 158441058) is [2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]amino]-2-oxoethyl]azanium chloride.
What is the SMILES notation for [2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]amino]-2-oxoethyl]azanium chloride?
The canonical SMILES for [2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]amino]-2-oxoethyl]azanium chloride is [Cl-].[NH3+]CC(=O)NC1CCC(NC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)CC1.
What is the InChIKey of [2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]amino]-2-oxoethyl]azanium chloride?
The InChIKey is MVDKWNRKRKLVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O3.ClH/c21-12-1-7-16(8-2-12)29-20-17(9-13(22)11-24-20)19(28)26-15-5-3-14(4-6-15)25-18(27)10-23;/h1-2,7-9,11,14-15H,3-6,10,23H2,(H,25,27)(H,26,28);1H.
What are the key properties of [2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]amino]-2-oxoethyl]azanium chloride?
[2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]amino]-2-oxoethyl]azanium chloride has a molecular weight of 440.88 g/mol, XLogP of -1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]amino]-2-oxoethyl]azanium chloride is sourced from PubChem (CID 158441058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).