N-[(1-benzyltriazol-4-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide

C23H22N6O2 — CID 87281910

IUPACN-[(1-benzyltriazol-4-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
SMILESO=C(NOCc1cn(Cc2ccccc2)nn1)c1ccccc1NCc1ccncc1
InChIInChI=1S/C23H22N6O2/c30-23(21-8-4-5-9-22(21)25-14-18-10-12-24-13-11-18)27-31-17-20-16-29(28-26-20)15-19-6-2-1-3-7-19/h1-13,16,25H,14-15,17H2,(H,27,30)
InChIKeyURXOBPMLOKLLFO-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.20
Rot. Bonds9

About N-[(1-benzyltriazol-4-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide

N-[(1-benzyltriazol-4-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide (PubChem CID 87281910) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[(1-benzyltriazol-4-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-[(1-benzyltriazol-4-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
PubChem CID87281910
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC NameN-[(1-benzyltriazol-4-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
SMILESO=C(NOCc1cn(Cc2ccccc2)nn1)c1ccccc1NCc1ccncc1
InChIInChI=1S/C23H22N6O2/c30-23(21-8-4-5-9-22(21)25-14-18-10-12-24-13-11-18)27-31-17-20-16-29(28-26-20)15-19-6-2-1-3-7-19/h1-13,16,25H,14-15,17H2,(H,27,30)
InChIKeyURXOBPMLOKLLFO-UHFFFAOYSA-N
XLogP3.20
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(1-benzyltriazol-4-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide 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

2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide
CID 11739316
N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide
CID 87281885
N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 11244953
N-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide
CID 87281732
N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 143056719
2-(pyridin-4-ylmethylamino)-N-[[2-(trifluoromethylsulfanyl)phenyl]methoxy]benzamide
CID 58989986
N-hexoxy-2-(pyridin-4-ylmethylamino)benzamide
CID 91261880
N-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 87281754
N-[(4-pentoxyphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 58989953
N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 58989819
2-[4-[(2-carbamoylanilino)methyl]triazol-1-yl]acetic acid
CID 115457975
(1-benzyltriazol-4-yl)methyl benzoate
CID 16745949

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyltriazol-4-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide?
The IUPAC name of N-[(1-benzyltriazol-4-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide (CID 87281910) is N-[(1-benzyltriazol-4-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for N-[(1-benzyltriazol-4-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for N-[(1-benzyltriazol-4-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide is O=C(NOCc1cn(Cc2ccccc2)nn1)c1ccccc1NCc1ccncc1.
What is the InChIKey of N-[(1-benzyltriazol-4-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide?
The InChIKey is URXOBPMLOKLLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c30-23(21-8-4-5-9-22(21)25-14-18-10-12-24-13-11-18)27-31-17-20-16-29(28-26-20)15-19-6-2-1-3-7-19/h1-13,16,25H,14-15,17H2,(H,27,30).
What are the key properties of N-[(1-benzyltriazol-4-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide?
N-[(1-benzyltriazol-4-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide has a molecular weight of 414.47 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyltriazol-4-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 87281910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).