4-(3-amino-4-methoxyphenyl)-N-(3-fluorophenyl)pyridin-2-amine

C18H16FN3O — CID 10018194

IUPAC4-(3-amino-4-methoxyphenyl)-N-(3-fluorophenyl)pyridin-2-amine
SMILESCOc1ccc(-c2ccnc(Nc3cccc(F)c3)c2)cc1N
InChIInChI=1S/C18H16FN3O/c1-23-17-6-5-12(9-16(17)20)13-7-8-21-18(10-13)22-15-4-2-3-14(19)11-15/h2-11H,20H2,1H3,(H,21,22)
InChIKeyXJMRXORJVOJPDQ-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.22
Rot. Bonds4

About 4-(3-amino-4-methoxyphenyl)-N-(3-fluorophenyl)pyridin-2-amine

4-(3-amino-4-methoxyphenyl)-N-(3-fluorophenyl)pyridin-2-amine (PubChem CID 10018194) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 4-(3-amino-4-methoxyphenyl)-N-(3-fluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(3-amino-4-methoxyphenyl)-N-(3-fluorophenyl)pyridin-2-amine
PubChem CID10018194
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name4-(3-amino-4-methoxyphenyl)-N-(3-fluorophenyl)pyridin-2-amine
SMILESCOc1ccc(-c2ccnc(Nc3cccc(F)c3)c2)cc1N
InChIInChI=1S/C18H16FN3O/c1-23-17-6-5-12(9-16(17)20)13-7-8-21-18(10-13)22-15-4-2-3-14(19)11-15/h2-11H,20H2,1H3,(H,21,22)
InChIKeyXJMRXORJVOJPDQ-UHFFFAOYSA-N
XLogP4.22
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Bisanilinopyrimidine, 6f
CID 70702137
2-Pyridinamine, 4-(4-methoxyphenyl)-
CID 82397500
N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide
CID 133053558
US10155760, Example 12
CID 118420154
US10155760, Example 27
CID 118420285
US10155760, Example 1
CID 118420330
US10155760, Example 28
CID 118429921
1-(2-Methoxyphenyl)-3-(5-methylpyridin-2-yl)urea
CID 808195
N-(4-Methoxybenzyl)pyridin-2-amine
CID 97452
SoRI 8897
CID 72509
6-[(2-Methoxy-5-methylphenylamino)methyl]-2,4-diamino-5-methylpyrido[2,3-d]pyrimidine
CID 457343
5-Ethyl-6-[[2-methoxy-5-(trifluoromethyl)anilino]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 462134

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-methoxyphenyl)-N-(3-fluorophenyl)pyridin-2-amine?
The IUPAC name of 4-(3-amino-4-methoxyphenyl)-N-(3-fluorophenyl)pyridin-2-amine (CID 10018194) is 4-(3-amino-4-methoxyphenyl)-N-(3-fluorophenyl)pyridin-2-amine.
What is the SMILES notation for 4-(3-amino-4-methoxyphenyl)-N-(3-fluorophenyl)pyridin-2-amine?
The canonical SMILES for 4-(3-amino-4-methoxyphenyl)-N-(3-fluorophenyl)pyridin-2-amine is COc1ccc(-c2ccnc(Nc3cccc(F)c3)c2)cc1N.
What is the InChIKey of 4-(3-amino-4-methoxyphenyl)-N-(3-fluorophenyl)pyridin-2-amine?
The InChIKey is XJMRXORJVOJPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-23-17-6-5-12(9-16(17)20)13-7-8-21-18(10-13)22-15-4-2-3-14(19)11-15/h2-11H,20H2,1H3,(H,21,22).
What are the key properties of 4-(3-amino-4-methoxyphenyl)-N-(3-fluorophenyl)pyridin-2-amine?
4-(3-amino-4-methoxyphenyl)-N-(3-fluorophenyl)pyridin-2-amine has a molecular weight of 309.34 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-methoxyphenyl)-N-(3-fluorophenyl)pyridin-2-amine is sourced from PubChem (CID 10018194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).