N-[[4-(1-morpholin-4-ylethenyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide

C26H28N4O3 — CID 88918465

IUPACN-[[4-(1-morpholin-4-ylethenyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
SMILESC=C(c1ccc(CONC(=O)c2ccccc2NCc2ccncc2)cc1)N1CCOCC1
InChIInChI=1S/C26H28N4O3/c1-20(30-14-16-32-17-15-30)23-8-6-22(7-9-23)19-33-29-26(31)24-4-2-3-5-25(24)28-18-21-10-12-27-13-11-21/h2-13,28H,1,14-19H2,(H,29,31)
InChIKeyDBCRWTQSCFZEDE-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.86
Rot. Bonds9

About N-[[4-(1-morpholin-4-ylethenyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide

N-[[4-(1-morpholin-4-ylethenyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide (PubChem CID 88918465) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[[4-(1-morpholin-4-ylethenyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-[[4-(1-morpholin-4-ylethenyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
PubChem CID88918465
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-[[4-(1-morpholin-4-ylethenyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
SMILESC=C(c1ccc(CONC(=O)c2ccccc2NCc2ccncc2)cc1)N1CCOCC1
InChIInChI=1S/C26H28N4O3/c1-20(30-14-16-32-17-15-30)23-8-6-22(7-9-23)19-33-29-26(31)24-4-2-3-5-25(24)28-18-21-10-12-27-13-11-21/h2-13,28H,1,14-19H2,(H,29,31)
InChIKeyDBCRWTQSCFZEDE-UHFFFAOYSA-N
XLogP3.86
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 58989819
N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 11244953
N-[[4-(1,1-difluoroethyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 143056719
N-[(4-pentoxyphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 58989953
2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide
CID 11739316
N-(3-phenylmethoxypropoxy)-2-(pyridin-4-ylmethylamino)benzamide
CID 87281885
N-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide
CID 87281732
N-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 87281754
N-[(1-benzyltriazol-4-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 87281910
2-(pyridin-4-ylmethylamino)-N-[[2-(trifluoromethylsulfanyl)phenyl]methoxy]benzamide
CID 58989986
N-hexoxy-2-(pyridin-4-ylmethylamino)benzamide
CID 91261880
N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 11151978

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-morpholin-4-ylethenyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide?
The IUPAC name of N-[[4-(1-morpholin-4-ylethenyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide (CID 88918465) is N-[[4-(1-morpholin-4-ylethenyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for N-[[4-(1-morpholin-4-ylethenyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for N-[[4-(1-morpholin-4-ylethenyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide is C=C(c1ccc(CONC(=O)c2ccccc2NCc2ccncc2)cc1)N1CCOCC1.
What is the InChIKey of N-[[4-(1-morpholin-4-ylethenyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide?
The InChIKey is DBCRWTQSCFZEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-20(30-14-16-32-17-15-30)23-8-6-22(7-9-23)19-33-29-26(31)24-4-2-3-5-25(24)28-18-21-10-12-27-13-11-21/h2-13,28H,1,14-19H2,(H,29,31).
What are the key properties of N-[[4-(1-morpholin-4-ylethenyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide?
N-[[4-(1-morpholin-4-ylethenyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide has a molecular weight of 444.54 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-morpholin-4-ylethenyl)phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 88918465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).