N-(benzhydrylideneamino)-4-ethoxypyridin-2-amine

C20H19N3O — CID 168893959

IUPACN-(benzhydrylideneamino)-4-ethoxypyridin-2-amine
SMILESCCOc1ccnc(NN=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H19N3O/c1-2-24-18-13-14-21-19(15-18)22-23-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15H,2H2,1H3,(H,21,22)
InChIKeyKCMNYLFJKQSONX-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.34
Rot. Bonds6

About N-(benzhydrylideneamino)-4-ethoxypyridin-2-amine

N-(benzhydrylideneamino)-4-ethoxypyridin-2-amine (PubChem CID 168893959) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-4-ethoxypyridin-2-amine.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-4-ethoxypyridin-2-amine
PubChem CID168893959
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-(benzhydrylideneamino)-4-ethoxypyridin-2-amine
SMILESCCOc1ccnc(NN=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H19N3O/c1-2-24-18-13-14-21-19(15-18)22-23-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15H,2H2,1H3,(H,21,22)
InChIKeyKCMNYLFJKQSONX-UHFFFAOYSA-N
XLogP4.34
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.34
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-(benzhydrylideneamino)-4-ethoxypyridin-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

N-(benzhydrylideneamino)-4-methoxypyridin-2-amine
CID 59186968
3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 4105259
N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
CID 6512079
N-(benzhydrylideneamino)-2-chloropyridin-4-amine
CID 126742562
ethoxybenzene chloride
CID 21193593
3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4059850
ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 6022033
4-ethoxy-2-ethylpyridine
CID 59520086
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
(1Z)-3-ethoxy-N-hydroxybenzenecarboximidoyl chloride
CID 12024113
N-(4-cyclopropyloxy-2-pyridinyl)benzamide
CID 90303211
carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
CID 158307427

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-4-ethoxypyridin-2-amine?
The IUPAC name of N-(benzhydrylideneamino)-4-ethoxypyridin-2-amine (CID 168893959) is N-(benzhydrylideneamino)-4-ethoxypyridin-2-amine.
What is the SMILES notation for N-(benzhydrylideneamino)-4-ethoxypyridin-2-amine?
The canonical SMILES for N-(benzhydrylideneamino)-4-ethoxypyridin-2-amine is CCOc1ccnc(NN=C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-(benzhydrylideneamino)-4-ethoxypyridin-2-amine?
The InChIKey is KCMNYLFJKQSONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-2-24-18-13-14-21-19(15-18)22-23-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15H,2H2,1H3,(H,21,22).
What are the key properties of N-(benzhydrylideneamino)-4-ethoxypyridin-2-amine?
N-(benzhydrylideneamino)-4-ethoxypyridin-2-amine has a molecular weight of 317.39 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-4-ethoxypyridin-2-amine is sourced from PubChem (CID 168893959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).