N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]pyridine-4-carboxamide

C27H25N3O2 — CID 11597008

IUPACN-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)cc1)c1ccncc1
InChIInChI=1S/C27H25N3O2/c31-27(23-15-18-28-19-16-23)30-24-8-12-26(13-9-24)32-25-10-6-21(7-11-25)14-17-29-20-22-4-2-1-3-5-22/h1-13,15-16,18-19,29H,14,17,20H2,(H,30,31)
InChIKeyVSMHOPUEVDWISA-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.46
Rot. Bonds9

About N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]pyridine-4-carboxamide

N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]pyridine-4-carboxamide (PubChem CID 11597008) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]pyridine-4-carboxamide
PubChem CID11597008
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC NameN-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)cc1)c1ccncc1
InChIInChI=1S/C27H25N3O2/c31-27(23-15-18-28-19-16-23)30-24-8-12-26(13-9-24)32-25-10-6-21(7-11-25)14-17-29-20-22-4-2-1-3-5-22/h1-13,15-16,18-19,29H,14,17,20H2,(H,30,31)
InChIKeyVSMHOPUEVDWISA-UHFFFAOYSA-N
XLogP5.46
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]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-[4-(ethylaminomethyl)phenyl]pyridine-4-carboxamide
CID 106910118
N-[4-[3-[4-(pyridine-4-carbonylamino)phenoxy]phenoxy]phenyl]pyridine-4-carboxamide
CID 1376699
N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide
CID 60914057
N-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135231352
(5-methyl-1,2-oxazol-3-yl) N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]carbamate
CID 66731262
4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide
CID 27006017
cobalt;N-pyridin-4-yl-4-[[[4-(pyridin-4-ylcarbamoyl)phenyl]methylamino]methyl]benzamide
CID 59994750
N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135223119
4-methoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983237
1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 118293299
methyl 4-[(2-pyridin-4-ylethylamino)methyl]benzoate
CID 60649467
N-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide
CID 17133255

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]pyridine-4-carboxamide (CID 11597008) is N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)cc1)c1ccncc1.
What is the InChIKey of N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]pyridine-4-carboxamide?
The InChIKey is VSMHOPUEVDWISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c31-27(23-15-18-28-19-16-23)30-24-8-12-26(13-9-24)32-25-10-6-21(7-11-25)14-17-29-20-22-4-2-1-3-5-22/h1-13,15-16,18-19,29H,14,17,20H2,(H,30,31).
What are the key properties of N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]pyridine-4-carboxamide?
N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]pyridine-4-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 5.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(benzylamino)ethyl]phenoxy]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 11597008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).