N-[(Z)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]pyridin-2-amine

C18H23N3O2 — CID 9121639

IUPACN-[(Z)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]pyridin-2-amine
SMILESCCOc1cc(/C=N\Nc2ccccn2)ccc1OCC(C)C
InChIInChI=1S/C18H23N3O2/c1-4-22-17-11-15(8-9-16(17)23-13-14(2)3)12-20-21-18-7-5-6-10-19-18/h5-12,14H,4,13H2,1-3H3,(H,19,21)/b20-12-
InChIKeyGLPFUNZYXHYGLC-NDENLUEZSA-N
MW313.40 g/mol
LogP3.96
Rot. Bonds8

About N-[(Z)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]pyridin-2-amine

N-[(Z)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]pyridin-2-amine (PubChem CID 9121639) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(Z)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]pyridin-2-amine
PubChem CID9121639
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[(Z)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]pyridin-2-amine
SMILESCCOc1cc(/C=N\Nc2ccccn2)ccc1OCC(C)C
InChIInChI=1S/C18H23N3O2/c1-4-22-17-11-15(8-9-16(17)23-13-14(2)3)12-20-21-18-7-5-6-10-19-18/h5-12,14H,4,13H2,1-3H3,(H,19,21)/b20-12-
InChIKeyGLPFUNZYXHYGLC-NDENLUEZSA-N
XLogP3.96
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]pyridin-2-amine
CID 84932002
2-ethoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3384370
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 5008756
2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3709889
2-[(Z)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]isoindole-1,3-dione
CID 9072178
N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine
CID 110505665
N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline
CID 169382210
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]acetamide
CID 46300693
N-[(E)-(3-butoxyphenyl)methylideneamino]pyridin-2-amine
CID 110505669
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3,4-dimethylaniline
CID 110841046
4-bromo-2-ethoxy-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135904945
N-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine
CID 3937585

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]pyridin-2-amine?
The IUPAC name of N-[(Z)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]pyridin-2-amine (CID 9121639) is N-[(Z)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(Z)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(Z)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]pyridin-2-amine is CCOc1cc(/C=N\Nc2ccccn2)ccc1OCC(C)C.
What is the InChIKey of N-[(Z)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]pyridin-2-amine?
The InChIKey is GLPFUNZYXHYGLC-NDENLUEZSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-22-17-11-15(8-9-16(17)23-13-14(2)3)12-20-21-18-7-5-6-10-19-18/h5-12,14H,4,13H2,1-3H3,(H,19,21)/b20-12-.
What are the key properties of N-[(Z)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]pyridin-2-amine?
N-[(Z)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]pyridin-2-amine has a molecular weight of 313.40 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]pyridin-2-amine is sourced from PubChem (CID 9121639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).