N-[(4-methoxyphenyl)methyl]-3-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide

C26H24N4O2 — CID 46331135

IUPACN-[(4-methoxyphenyl)methyl]-3-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(Nc3ccnc(-c4cccc(C)c4)n3)c2)cc1
InChIInChI=1S/C26H24N4O2/c1-18-5-3-6-20(15-18)25-27-14-13-24(30-25)29-22-8-4-7-21(16-22)26(31)28-17-19-9-11-23(32-2)12-10-19/h3-16H,17H2,1-2H3,(H,28,31)(H,27,29,30)
InChIKeyPNTDSWXOZKMVQV-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.13
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-3-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide

N-[(4-methoxyphenyl)methyl]-3-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide (PubChem CID 46331135) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
PubChem CID46331135
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(Nc3ccnc(-c4cccc(C)c4)n3)c2)cc1
InChIInChI=1S/C26H24N4O2/c1-18-5-3-6-20(15-18)25-27-14-13-24(30-25)29-22-8-4-7-21(16-22)26(31)28-17-19-9-11-23(32-2)12-10-19/h3-16H,17H2,1-2H3,(H,28,31)(H,27,29,30)
InChIKeyPNTDSWXOZKMVQV-UHFFFAOYSA-N
XLogP5.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46331192
3-[(2-phenylpyrimidin-4-yl)amino]-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 46331407
N-benzyl-3-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46331347
3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-propoxyphenyl)methyl]benzamide
CID 46331193
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53078203
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 46386633
4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53078315
methyl 3-[[4-[(3-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109169805
4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53078307
N-[(4-chlorophenyl)methyl]-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 53119795
N-(2-methylpropyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 46331360
N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170897

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide (CID 46331135) is N-[(4-methoxyphenyl)methyl]-3-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide is COc1ccc(CNC(=O)c2cccc(Nc3ccnc(-c4cccc(C)c4)n3)c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The InChIKey is PNTDSWXOZKMVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-18-5-3-6-20(15-18)25-27-14-13-24(30-25)29-22-8-4-7-21(16-22)26(31)28-17-19-9-11-23(32-2)12-10-19/h3-16H,17H2,1-2H3,(H,28,31)(H,27,29,30).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide?
N-[(4-methoxyphenyl)methyl]-3-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide has a molecular weight of 424.50 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 46331135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).