N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide

C23H25N3O3 — CID 87281885

IUPACN-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide
SMILESO=C(NOCCCOCc1ccccc1)c1ccccc1NCc1ccncc1
InChIInChI=1S/C23H25N3O3/c27-23(26-29-16-6-15-28-18-20-7-2-1-3-8-20)21-9-4-5-10-22(21)25-17-19-11-13-24-14-12-19/h1-5,7-14,25H,6,15-18H2,(H,26,27)
InChIKeyWZSQHBOQFRLGAJ-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.96
Rot. Bonds11

About N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide

N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide (PubChem CID 87281885) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide
PubChem CID87281885
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide
SMILESO=C(NOCCCOCc1ccccc1)c1ccccc1NCc1ccncc1
InChIInChI=1S/C23H25N3O3/c27-23(26-29-16-6-15-28-18-20-7-2-1-3-8-20)21-9-4-5-10-22(21)25-17-19-11-13-24-14-12-19/h1-5,7-14,25H,6,15-18H2,(H,26,27)
InChIKeyWZSQHBOQFRLGAJ-UHFFFAOYSA-N
XLogP3.96
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-phenylmethoxypropoxy)-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

N-hexoxy-2-(pyridin-4-ylmethylamino)benzamide
CID 91261880
N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 11244953
N-[(4-pentoxyphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 58989953
N-[(1-benzyltriazol-4-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 87281910
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-(1,3-thiazol-4-ylmethoxy)benzamide
CID 11739316
2-(pyridin-4-ylmethylamino)-N-[2-[2-(trifluoromethyl)phenyl]ethoxy]benzamide
CID 87858763
N-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 87281754
N-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide
CID 15462164
2-(pyridin-4-ylmethylamino)-N-[[2-(trifluoromethylsulfanyl)phenyl]methoxy]benzamide
CID 58989986
N-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide
CID 91322862

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide?
The IUPAC name of N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide (CID 87281885) is N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide is O=C(NOCCCOCc1ccccc1)c1ccccc1NCc1ccncc1.
What is the InChIKey of N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide?
The InChIKey is WZSQHBOQFRLGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c27-23(26-29-16-6-15-28-18-20-7-2-1-3-8-20)21-9-4-5-10-22(21)25-17-19-11-13-24-14-12-19/h1-5,7-14,25H,6,15-18H2,(H,26,27).
What are the key properties of N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide?
N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide has a molecular weight of 391.47 g/mol, XLogP of 3.96, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 87281885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).