N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]pyridin-2-amine

C16H19N3O — CID 110505657

IUPACN-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]pyridin-2-amine
SMILESCC(C)(C)Oc1ccc(/C=N/Nc2ccccn2)cc1
InChIInChI=1S/C16H19N3O/c1-16(2,3)20-14-9-7-13(8-10-14)12-18-19-15-6-4-5-11-17-15/h4-12H,1-3H3,(H,17,19)/b18-12+
InChIKeyWSDMBEFOAXFWCI-LDADJPATSA-N
MW269.35 g/mol
LogP3.70
Rot. Bonds4

About N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]pyridin-2-amine

N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]pyridin-2-amine (PubChem CID 110505657) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]pyridin-2-amine
PubChem CID110505657
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]pyridin-2-amine
SMILESCC(C)(C)Oc1ccc(/C=N/Nc2ccccn2)cc1
InChIInChI=1S/C16H19N3O/c1-16(2,3)20-14-9-7-13(8-10-14)12-18-19-15-6-4-5-11-17-15/h4-12H,1-3H3,(H,17,19)/b18-12+
InChIKeyWSDMBEFOAXFWCI-LDADJPATSA-N
XLogP3.70
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(pyridin-2-ylhydrazinylidene)methyl]benzonitrile
CID 4529137
N-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine
CID 3937585
N-[(E)-(3-butoxyphenyl)methylideneamino]pyridin-2-amine
CID 110505669
4-[(pyridin-2-ylhydrazinylidene)methyl]benzenecarbothioamide
CID 4551729
2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3709889
N-[(2,4,6-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 4235681
2-ethoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3384370
N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]pyridin-2-amine
CID 84932002
6-tert-butyl-5-[(2E)-2-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 110514629
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 5008756
N-[(Z)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]pyridin-2-amine
CID 9121639
2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135439965

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]pyridin-2-amine?
The IUPAC name of N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]pyridin-2-amine (CID 110505657) is N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]pyridin-2-amine is CC(C)(C)Oc1ccc(/C=N/Nc2ccccn2)cc1.
What is the InChIKey of N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]pyridin-2-amine?
The InChIKey is WSDMBEFOAXFWCI-LDADJPATSA-N. The full InChI is InChI=1S/C16H19N3O/c1-16(2,3)20-14-9-7-13(8-10-14)12-18-19-15-6-4-5-11-17-15/h4-12H,1-3H3,(H,17,19)/b18-12+.
What are the key properties of N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]pyridin-2-amine?
N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]pyridin-2-amine has a molecular weight of 269.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]pyridin-2-amine is sourced from PubChem (CID 110505657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).