N-[(E)-[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide

C24H22N4O2 — CID 25251365

IUPACN-[(E)-[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cn(CCCOc2ccccc2)c2ccccc12)c1ccncc1
InChIInChI=1S/C24H22N4O2/c29-24(19-11-13-25-14-12-19)27-26-17-20-18-28(23-10-5-4-9-22(20)23)15-6-16-30-21-7-2-1-3-8-21/h1-5,7-14,17-18H,6,15-16H2,(H,27,29)/b26-17+
InChIKeySYCBZOTYFYMFON-YZSQISJMSA-N
MW398.47 g/mol
LogP4.27
Rot. Bonds8

About N-[(E)-[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide

N-[(E)-[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide (PubChem CID 25251365) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[(E)-[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide
PubChem CID25251365
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[(E)-[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cn(CCCOc2ccccc2)c2ccccc12)c1ccncc1
InChIInChI=1S/C24H22N4O2/c29-24(19-11-13-25-14-12-19)27-26-17-20-18-28(23-10-5-4-9-22(20)23)15-6-16-30-21-7-2-1-3-8-21/h1-5,7-14,17-18H,6,15-16H2,(H,27,29)/b26-17+
InChIKeySYCBZOTYFYMFON-YZSQISJMSA-N
XLogP4.27
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(E)-[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide 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-[(1-benzylindol-3-yl)methylideneamino]-4-butoxybenzamide
CID 3483141
N-[(Z)-[1-(2-cyanoethyl)indol-3-yl]methylideneamino]benzamide
CID 9058755
1-(4-methylphenyl)-3-[[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]thiourea
CID 3946085
N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]-4-propoxybenzamide
CID 92658957
N-[(E)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 126225126
N-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-propoxybenzamide
CID 92658950
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
CID 3879829
N-[(Z)-[1-(benzenesulfonyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide
CID 139220768
N-[[1-(2-cyanoethyl)indol-3-yl]methylideneamino]pyrazine-2-carboxamide
CID 2324051
N-[(Z)-[1-[(2S)-2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propyl]indol-3-yl]methylideneamino]pyridine-4-carboxamide
CID 40542324
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 1275740
4-amino-N-[(1-benzylindol-3-yl)methylideneamino]benzamide
CID 24818537

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide (CID 25251365) is N-[(E)-[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1cn(CCCOc2ccccc2)c2ccccc12)c1ccncc1.
What is the InChIKey of N-[(E)-[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is SYCBZOTYFYMFON-YZSQISJMSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-24(19-11-13-25-14-12-19)27-26-17-20-18-28(23-10-5-4-9-22(20)23)15-6-16-30-21-7-2-1-3-8-21/h1-5,7-14,17-18H,6,15-16H2,(H,27,29)/b26-17+.
What are the key properties of N-[(E)-[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide?
N-[(E)-[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 25251365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).