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

C24H21N3O2 — CID 59681549

IUPAC4-(3-amino-4-methoxyphenyl)-N-(3-phenoxyphenyl)pyridin-2-amine
SMILESCOc1ccc(-c2ccnc(Nc3cccc(Oc4ccccc4)c3)c2)cc1N
InChIInChI=1S/C24H21N3O2/c1-28-23-11-10-17(14-22(23)25)18-12-13-26-24(15-18)27-19-6-5-9-21(16-19)29-20-7-3-2-4-8-20/h2-16H,25H2,1H3,(H,26,27)
InChIKeyHDARJTWCKINTQH-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.88
Rot. Bonds6

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

4-(3-amino-4-methoxyphenyl)-N-(3-phenoxyphenyl)pyridin-2-amine (PubChem CID 59681549) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-(3-amino-4-methoxyphenyl)-N-(3-phenoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(3-amino-4-methoxyphenyl)-N-(3-phenoxyphenyl)pyridin-2-amine
PubChem CID59681549
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name4-(3-amino-4-methoxyphenyl)-N-(3-phenoxyphenyl)pyridin-2-amine
SMILESCOc1ccc(-c2ccnc(Nc3cccc(Oc4ccccc4)c3)c2)cc1N
InChIInChI=1S/C24H21N3O2/c1-28-23-11-10-17(14-22(23)25)18-12-13-26-24(15-18)27-19-6-5-9-21(16-19)29-20-7-3-2-4-8-20/h2-16H,25H2,1H3,(H,26,27)
InChIKeyHDARJTWCKINTQH-UHFFFAOYSA-N
XLogP5.88
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea
CID 67062321
2-methoxy-5-phenylaniline;4-[4-[(2-methoxy-5-phenylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 162196336
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
4-N-(6-amino-2-pyridinyl)-6-N-(3-phenoxyphenyl)pyrimidine-4,6-diamine
CID 58442794
N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide
CID 10475851
N-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 10158076
N-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine
CID 170189455
6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;N-(3-phenoxyphenyl)quinolin-4-amine;dihydrochloride
CID 67730198
N-methoxy-3-phenoxyaniline
CID 90688975
6-[2-(3-methoxyanilino)-4-pyridinyl]-4-methyl-1,4-benzoxazin-3-one
CID 10338616
1-methyl-3-N-(3-phenoxyphenyl)pyrazole-3,4-diamine
CID 103078319
methyl 2-(3-methoxyanilino)pyridine-4-carboxylate
CID 68663874

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-methoxyphenyl)-N-(3-phenoxyphenyl)pyridin-2-amine?
The IUPAC name of 4-(3-amino-4-methoxyphenyl)-N-(3-phenoxyphenyl)pyridin-2-amine (CID 59681549) is 4-(3-amino-4-methoxyphenyl)-N-(3-phenoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 4-(3-amino-4-methoxyphenyl)-N-(3-phenoxyphenyl)pyridin-2-amine?
The canonical SMILES for 4-(3-amino-4-methoxyphenyl)-N-(3-phenoxyphenyl)pyridin-2-amine is COc1ccc(-c2ccnc(Nc3cccc(Oc4ccccc4)c3)c2)cc1N.
What is the InChIKey of 4-(3-amino-4-methoxyphenyl)-N-(3-phenoxyphenyl)pyridin-2-amine?
The InChIKey is HDARJTWCKINTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-28-23-11-10-17(14-22(23)25)18-12-13-26-24(15-18)27-19-6-5-9-21(16-19)29-20-7-3-2-4-8-20/h2-16H,25H2,1H3,(H,26,27).
What are the key properties of 4-(3-amino-4-methoxyphenyl)-N-(3-phenoxyphenyl)pyridin-2-amine?
4-(3-amino-4-methoxyphenyl)-N-(3-phenoxyphenyl)pyridin-2-amine has a molecular weight of 383.45 g/mol, XLogP of 5.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-methoxyphenyl)-N-(3-phenoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 59681549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).