4-[3-amino-4-(methylideneamino)phenyl]-2-[(6-methyl-2-pyridinyl)methylideneamino]aniline

C20H19N5 — CID 142801680

IUPAC4-[3-amino-4-(methylideneamino)phenyl]-2-[(6-methyl-2-pyridinyl)methylideneamino]aniline
SMILESC=Nc1ccc(-c2ccc(N)c(/N=C/c3cccc(C)n3)c2)cc1N
InChIInChI=1S/C20H19N5/c1-13-4-3-5-16(25-13)12-24-20-11-15(6-8-17(20)21)14-7-9-19(23-2)18(22)10-14/h3-12H,2,21-22H2,1H3/b24-12+
InChIKeyFSMZCXAMBQIZEZ-WYMPLXKRSA-N
MW329.41 g/mol
LogP4.30
Rot. Bonds4

About 4-[3-amino-4-(methylideneamino)phenyl]-2-[(6-methyl-2-pyridinyl)methylideneamino]aniline

4-[3-amino-4-(methylideneamino)phenyl]-2-[(6-methyl-2-pyridinyl)methylideneamino]aniline (PubChem CID 142801680) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 4-[3-amino-4-(methylideneamino)phenyl]-2-[(6-methyl-2-pyridinyl)methylideneamino]aniline.

Molecular Properties

Compound Name4-[3-amino-4-(methylideneamino)phenyl]-2-[(6-methyl-2-pyridinyl)methylideneamino]aniline
PubChem CID142801680
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name4-[3-amino-4-(methylideneamino)phenyl]-2-[(6-methyl-2-pyridinyl)methylideneamino]aniline
SMILESC=Nc1ccc(-c2ccc(N)c(/N=C/c3cccc(C)n3)c2)cc1N
InChIInChI=1S/C20H19N5/c1-13-4-3-5-16(25-13)12-24-20-11-15(6-8-17(20)21)14-7-9-19(23-2)18(22)10-14/h3-12H,2,21-22H2,1H3/b24-12+
InChIKeyFSMZCXAMBQIZEZ-WYMPLXKRSA-N
XLogP4.30
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[3-amino-4-(methylideneamino)phenyl]-2-(benzylideneamino)aniline
CID 130374140
N-[2-amino-4-[4-amino-3-[(5-propan-2-ylpyrazin-2-yl)methylideneamino]phenyl]phenyl]methanimidoyl iodide
CID 130374133
1-(6-methyl-2-pyridinyl)-N-[2-[2-[2-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
CID 139079886
2-(methylideneamino)-5-[3-(methylideneamino)-4-phenylphenyl]aniline
CID 142858878
5-[3-amino-4-[(4-methylphenyl)methylideneamino]phenyl]-2-(ethylideneamino)aniline
CID 20783051
ethane;2-(methylideneamino)aniline
CID 177015010
[(6-methyl-2-pyridinyl)methylideneamino]thiourea
CID 5042042
2-azido-5-(3-methylphenyl)aniline
CID 23461148
2-[(6-methyl-2-pyridinyl)methylideneamino]ethanol
CID 102086230
N-(3-fluoro-2-methylphenyl)-1-[6-[(3-fluoro-2-methylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 141022243
1-(6-methyl-2-pyridinyl)-N-[2-[4-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]methanimine
CID 102590474
N,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide
CID 6371795

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-4-(methylideneamino)phenyl]-2-[(6-methyl-2-pyridinyl)methylideneamino]aniline?
The IUPAC name of 4-[3-amino-4-(methylideneamino)phenyl]-2-[(6-methyl-2-pyridinyl)methylideneamino]aniline (CID 142801680) is 4-[3-amino-4-(methylideneamino)phenyl]-2-[(6-methyl-2-pyridinyl)methylideneamino]aniline.
What is the SMILES notation for 4-[3-amino-4-(methylideneamino)phenyl]-2-[(6-methyl-2-pyridinyl)methylideneamino]aniline?
The canonical SMILES for 4-[3-amino-4-(methylideneamino)phenyl]-2-[(6-methyl-2-pyridinyl)methylideneamino]aniline is C=Nc1ccc(-c2ccc(N)c(/N=C/c3cccc(C)n3)c2)cc1N.
What is the InChIKey of 4-[3-amino-4-(methylideneamino)phenyl]-2-[(6-methyl-2-pyridinyl)methylideneamino]aniline?
The InChIKey is FSMZCXAMBQIZEZ-WYMPLXKRSA-N. The full InChI is InChI=1S/C20H19N5/c1-13-4-3-5-16(25-13)12-24-20-11-15(6-8-17(20)21)14-7-9-19(23-2)18(22)10-14/h3-12H,2,21-22H2,1H3/b24-12+.
What are the key properties of 4-[3-amino-4-(methylideneamino)phenyl]-2-[(6-methyl-2-pyridinyl)methylideneamino]aniline?
4-[3-amino-4-(methylideneamino)phenyl]-2-[(6-methyl-2-pyridinyl)methylideneamino]aniline has a molecular weight of 329.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-4-(methylideneamino)phenyl]-2-[(6-methyl-2-pyridinyl)methylideneamino]aniline is sourced from PubChem (CID 142801680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).