3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine

C24H24ClF2N3O3 — CID 21111083

IUPAC3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(OCCN3CCOCC3)cc2)cc1OCc1c(F)ccc(F)c1Cl
InChIInChI=1S/C24H24ClF2N3O3/c25-23-19(20(26)5-6-21(23)27)15-33-22-13-17(14-29-24(22)28)16-1-3-18(4-2-16)32-12-9-30-7-10-31-11-8-30/h1-6,13-14H,7-12,15H2,(H2,28,29)
InChIKeyPFRUCUSYCGTLRJ-UHFFFAOYSA-N
MW475.92 g/mol
LogP4.55
Rot. Bonds8

About 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine

3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine (PubChem CID 21111083) has the molecular formula C24H24ClF2N3O3 and a molecular weight of 475.92 g/mol. Its IUPAC name is 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine
PubChem CID21111083
Molecular FormulaC24H24ClF2N3O3
Molecular Weight475.92 g/mol
Exact Mass475.15
IUPAC Name3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(OCCN3CCOCC3)cc2)cc1OCc1c(F)ccc(F)c1Cl
InChIInChI=1S/C24H24ClF2N3O3/c25-23-19(20(26)5-6-21(23)27)15-33-22-13-17(14-29-24(22)28)16-1-3-18(4-2-16)32-12-9-30-7-10-31-11-8-30/h1-6,13-14H,7-12,15H2,(H2,28,29)
InChIKeyPFRUCUSYCGTLRJ-UHFFFAOYSA-N
XLogP4.55
TPSA69.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.92
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-[4-(2-morpholin-4-ylethoxy)phenyl]-3-[(3-nitrophenyl)methoxy]pyridin-2-amine
CID 21111304
N-[4-[6-amino-5-[(2-chloro-3,6-difluorophenyl)methoxy]-3-pyridinyl]phenyl]-2-piperidin-1-ylethanesulfonamide
CID 58886433
3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-pyridin-3-ylpyridin-2-amine
CID 21110961
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[6-morpholin-4-yl-5-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyridin-2-amine
CID 118555155
4-[2-[4-(3-fluoro-4-methylphenyl)phenoxy]ethyl]morpholine
CID 123641546
5-bromo-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyridin-2-amine
CID 21111491
[4-[6-amino-5-[(2-chloro-3,6-difluorophenyl)methoxy]-3-pyridinyl]phenyl]-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 58886024
[4-[6-amino-5-[2-(2-chloro-3,6-difluorophenyl)ethoxy]-3-pyridinyl]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 91263211
3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine
CID 90961480
4-[2-[4-(6-ethyl-3-pyridinyl)phenoxy]ethyl]morpholine
CID 59845977
N-[3-[5-amino-6-[(2-chloro-3,6-difluorophenyl)methoxy]pyrazin-2-yl]phenyl]-2-morpholin-4-ylethanesulfonamide
CID 58886192
4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 58886373

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine (CID 21111083) is 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine is Nc1ncc(-c2ccc(OCCN3CCOCC3)cc2)cc1OCc1c(F)ccc(F)c1Cl.
What is the InChIKey of 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine?
The InChIKey is PFRUCUSYCGTLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF2N3O3/c25-23-19(20(26)5-6-21(23)27)15-33-22-13-17(14-29-24(22)28)16-1-3-18(4-2-16)32-12-9-30-7-10-31-11-8-30/h1-6,13-14H,7-12,15H2,(H2,28,29).
What are the key properties of 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine?
3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine has a molecular weight of 475.92 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-3,6-difluorophenyl)methoxy]-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 21111083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).