4-[6-amino-5-[1-(6-chloro-2-hydroxy-3-phosphanylphenyl)ethoxy]-3-pyridinyl]benzamide;N-methylethanamine

C23H28ClN4O3P — CID 143190245

IUPAC4-[6-amino-5-[1-(6-chloro-2-hydroxy-3-phosphanylphenyl)ethoxy]-3-pyridinyl]benzamide;N-methylethanamine
SMILESCC(Oc1cc(-c2ccc(C(N)=O)cc2)cnc1N)c1c(Cl)ccc(P)c1O.CCNC
InChIInChI=1S/C20H19ClN3O3P.C3H9N/c1-10(17-14(21)6-7-16(28)18(17)25)27-15-8-13(9-24-19(15)22)11-2-4-12(5-3-11)20(23)26;1-3-4-2/h2-10,25H,28H2,1H3,(H2,22,24)(H2,23,26);4H,3H2,1-2H3
InChIKeyBCUDHLRJDMFMQT-UHFFFAOYSA-N
MW474.93 g/mol
LogP3.65
Rot. Bonds6

About 4-[6-amino-5-[1-(6-chloro-2-hydroxy-3-phosphanylphenyl)ethoxy]-3-pyridinyl]benzamide;N-methylethanamine

4-[6-amino-5-[1-(6-chloro-2-hydroxy-3-phosphanylphenyl)ethoxy]-3-pyridinyl]benzamide;N-methylethanamine (PubChem CID 143190245) has the molecular formula C23H28ClN4O3P and a molecular weight of 474.93 g/mol. Its IUPAC name is 4-[6-amino-5-[1-(6-chloro-2-hydroxy-3-phosphanylphenyl)ethoxy]-3-pyridinyl]benzamide;N-methylethanamine.

Molecular Properties

Compound Name4-[6-amino-5-[1-(6-chloro-2-hydroxy-3-phosphanylphenyl)ethoxy]-3-pyridinyl]benzamide;N-methylethanamine
PubChem CID143190245
Molecular FormulaC23H28ClN4O3P
Molecular Weight474.93 g/mol
Exact Mass474.16
IUPAC Name4-[6-amino-5-[1-(6-chloro-2-hydroxy-3-phosphanylphenyl)ethoxy]-3-pyridinyl]benzamide;N-methylethanamine
SMILESCC(Oc1cc(-c2ccc(C(N)=O)cc2)cnc1N)c1c(Cl)ccc(P)c1O.CCNC
InChIInChI=1S/C20H19ClN3O3P.C3H9N/c1-10(17-14(21)6-7-16(28)18(17)25)27-15-8-13(9-24-19(15)22)11-2-4-12(5-3-11)20(23)26;1-3-4-2/h2-10,25H,28H2,1H3,(H2,22,24)(H2,23,26);4H,3H2,1-2H3
InChIKeyBCUDHLRJDMFMQT-UHFFFAOYSA-N
XLogP3.65
TPSA123.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.93
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-ethylbenzamide
CID 58885740
2-[1-[[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]oxy]ethyl]-3-chloro-6-methylphenol
CID 143190230
2-[1-[(2-amino-5-phenyl-3-pyridinyl)oxy]ethyl]-3-chloro-6-fluorophenol
CID 143190350
[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone
CID 21110887
4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]benzamide
CID 58886449
4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(azetidin-3-yl)benzamide
CID 21110873
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine
CID 21110796
4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[4-(hydroxymethyl)cyclohexyl]benzamide
CID 58837240
4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 58885734
[4-[6-amino-5-[1-(3,6-dichloro-2-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone
CID 58688121
4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 58885899
[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 58886040

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-[1-(6-chloro-2-hydroxy-3-phosphanylphenyl)ethoxy]-3-pyridinyl]benzamide;N-methylethanamine?
The IUPAC name of 4-[6-amino-5-[1-(6-chloro-2-hydroxy-3-phosphanylphenyl)ethoxy]-3-pyridinyl]benzamide;N-methylethanamine (CID 143190245) is 4-[6-amino-5-[1-(6-chloro-2-hydroxy-3-phosphanylphenyl)ethoxy]-3-pyridinyl]benzamide;N-methylethanamine.
What is the SMILES notation for 4-[6-amino-5-[1-(6-chloro-2-hydroxy-3-phosphanylphenyl)ethoxy]-3-pyridinyl]benzamide;N-methylethanamine?
The canonical SMILES for 4-[6-amino-5-[1-(6-chloro-2-hydroxy-3-phosphanylphenyl)ethoxy]-3-pyridinyl]benzamide;N-methylethanamine is CC(Oc1cc(-c2ccc(C(N)=O)cc2)cnc1N)c1c(Cl)ccc(P)c1O.CCNC.
What is the InChIKey of 4-[6-amino-5-[1-(6-chloro-2-hydroxy-3-phosphanylphenyl)ethoxy]-3-pyridinyl]benzamide;N-methylethanamine?
The InChIKey is BCUDHLRJDMFMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN3O3P.C3H9N/c1-10(17-14(21)6-7-16(28)18(17)25)27-15-8-13(9-24-19(15)22)11-2-4-12(5-3-11)20(23)26;1-3-4-2/h2-10,25H,28H2,1H3,(H2,22,24)(H2,23,26);4H,3H2,1-2H3.
What are the key properties of 4-[6-amino-5-[1-(6-chloro-2-hydroxy-3-phosphanylphenyl)ethoxy]-3-pyridinyl]benzamide;N-methylethanamine?
4-[6-amino-5-[1-(6-chloro-2-hydroxy-3-phosphanylphenyl)ethoxy]-3-pyridinyl]benzamide;N-methylethanamine has a molecular weight of 474.93 g/mol, XLogP of 3.65, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-[1-(6-chloro-2-hydroxy-3-phosphanylphenyl)ethoxy]-3-pyridinyl]benzamide;N-methylethanamine is sourced from PubChem (CID 143190245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).