N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide

C28H25N3O3 — CID 170951274

IUPACN-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(CNC(=O)c3ccc(-c4ccncc4)cc3)c2)cc1
InChIInChI=1S/C28H25N3O3/c1-34-26-11-5-20(6-12-26)18-30-28(33)25-4-2-3-21(17-25)19-31-27(32)24-9-7-22(8-10-24)23-13-15-29-16-14-23/h2-17H,18-19H2,1H3,(H,30,33)(H,31,32)
InChIKeyPVIJEIAPKHBCPG-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.62
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide

N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide (PubChem CID 170951274) has the molecular formula C28H25N3O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
PubChem CID170951274
Molecular FormulaC28H25N3O3
Molecular Weight451.53 g/mol
Exact Mass451.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(CNC(=O)c3ccc(-c4ccncc4)cc3)c2)cc1
InChIInChI=1S/C28H25N3O3/c1-34-26-11-5-20(6-12-26)18-30-28(33)25-4-2-3-21(17-25)19-31-27(32)24-9-7-22(8-10-24)23-13-15-29-16-14-23/h2-17H,18-19H2,1H3,(H,30,33)(H,31,32)
InChIKeyPVIJEIAPKHBCPG-UHFFFAOYSA-N
XLogP4.62
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 142337904
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
ethyl 3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzoate;methanol
CID 142337828
4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide
CID 23988040
N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
CID 134799606
2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide
CID 5073153
2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007
N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020816
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53116698

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide (CID 170951274) is N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide is COc1ccc(CNC(=O)c2cccc(CNC(=O)c3ccc(-c4ccncc4)cc3)c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide?
The InChIKey is PVIJEIAPKHBCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3/c1-34-26-11-5-20(6-12-26)18-30-28(33)25-4-2-3-21(17-25)19-31-27(32)24-9-7-22(8-10-24)23-13-15-29-16-14-23/h2-17H,18-19H2,1H3,(H,30,33)(H,31,32).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide?
N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide has a molecular weight of 451.53 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide is sourced from PubChem (CID 170951274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).