5-chloro-N-cyclohexyl-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine

C23H23ClFN3O — CID 70795337

IUPAC5-chloro-N-cyclohexyl-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine
SMILESFc1cccc(COc2cccc(-c3cc(NC4CCCCC4)ncc3Cl)n2)c1
InChIInChI=1S/C23H23ClFN3O/c24-20-14-26-22(27-18-8-2-1-3-9-18)13-19(20)21-10-5-11-23(28-21)29-15-16-6-4-7-17(25)12-16/h4-7,10-14,18H,1-3,8-9,15H2,(H,26,27)
InChIKeyYLWBMGIFHLJDLT-UHFFFAOYSA-N
MW411.91 g/mol
LogP6.26
Rot. Bonds6

About 5-chloro-N-cyclohexyl-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine

5-chloro-N-cyclohexyl-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine (PubChem CID 70795337) has the molecular formula C23H23ClFN3O and a molecular weight of 411.91 g/mol. Its IUPAC name is 5-chloro-N-cyclohexyl-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-cyclohexyl-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine
PubChem CID70795337
Molecular FormulaC23H23ClFN3O
Molecular Weight411.91 g/mol
Exact Mass411.15
IUPAC Name5-chloro-N-cyclohexyl-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine
SMILESFc1cccc(COc2cccc(-c3cc(NC4CCCCC4)ncc3Cl)n2)c1
InChIInChI=1S/C23H23ClFN3O/c24-20-14-26-22(27-18-8-2-1-3-9-18)13-19(20)21-10-5-11-23(28-21)29-15-16-6-4-7-17(25)12-16/h4-7,10-14,18H,1-3,8-9,15H2,(H,26,27)
InChIKeyYLWBMGIFHLJDLT-UHFFFAOYSA-N
XLogP6.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.91
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Chloropyridin-2-yl)-3-[2-(3-ethoxy-2,6-difluorophenyl)cyclopropyl]urea
CID 468174
1-(5-chloro-2-pyridyl)-3-[(1R,2R)-2-(3-ethoxy-2,6-difluoro-phenyl)cyclopropyl]urea
CID 469283
[3-Ethoxy-5-(3-fluoro-phenyl)-pyridin-2-yl]-(6-methyl-pyridin-2-yl)-amine
CID 11267265
(S)-6-Chloro-5-(2,6-difluoro-4-(3-(methylamino)propoxy)phenyl)-2-(pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
CID 11397947
N-(4-(3-fluorobenzyloxy)-3-chlorophenyl)-5-(2-(pyridin-2-yl)ethynyl)pyrimidin-4-amine
CID 11597180
N-(4-(3-fluorobenzyloxy)-3-chlorophenyl)-5-(2-(2-aminopyrimidin-4-yl)ethynyl)pyrimidin-4-amine
CID 11640889
6-chloro-5-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-2-pyridin-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine;hydrochloride
CID 25211683
6-((2-(2-chlorophenyl)-5-(4-(pyridin-2-yloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine
CID 46884524
N-(trans-4-(aminomethyl)cyclohexyl)-5'-chloro-6-(3-fluorobenzyloxy)-2,4'-bipyridin-2'-amine
CID 66937029
N2'-(trans-4-aminocyclohexyl)-N6-(3-fluorobenzyl)-5'-methoxy-2,4'-bipyridine-2',6-diamine
CID 66937200
4-N-[5-chloro-4-[6-[[3-(trifluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 68405068
4-N-[5-chloro-4-[6-[(3-methoxyphenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 68405073

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohexyl-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-cyclohexyl-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine (CID 70795337) is 5-chloro-N-cyclohexyl-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-cyclohexyl-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-cyclohexyl-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine is Fc1cccc(COc2cccc(-c3cc(NC4CCCCC4)ncc3Cl)n2)c1.
What is the InChIKey of 5-chloro-N-cyclohexyl-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine?
The InChIKey is YLWBMGIFHLJDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O/c24-20-14-26-22(27-18-8-2-1-3-9-18)13-19(20)21-10-5-11-23(28-21)29-15-16-6-4-7-17(25)12-16/h4-7,10-14,18H,1-3,8-9,15H2,(H,26,27).
What are the key properties of 5-chloro-N-cyclohexyl-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine?
5-chloro-N-cyclohexyl-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine has a molecular weight of 411.91 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohexyl-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 70795337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).