N-[6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide

C22H18N4O2 — CID 59813393

IUPACN-[6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide
SMILESCNc1nccc(Oc2ccc3c(NC(=O)c4ccccc4)cccc3c2)n1
InChIInChI=1S/C22H18N4O2/c1-23-22-24-13-12-20(26-22)28-17-10-11-18-16(14-17)8-5-9-19(18)25-21(27)15-6-3-2-4-7-15/h2-14H,1H3,(H,25,27)(H,23,24,26)
InChIKeyYBOPJJOIWZWDQS-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.72
Rot. Bonds5

About N-[6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide

N-[6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide (PubChem CID 59813393) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide.

Molecular Properties

Compound NameN-[6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide
PubChem CID59813393
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-[6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide
SMILESCNc1nccc(Oc2ccc3c(NC(=O)c4ccccc4)cccc3c2)n1
InChIInChI=1S/C22H18N4O2/c1-23-22-24-13-12-20(26-22)28-17-10-11-18-16(14-17)8-5-9-19(18)25-21(27)15-6-3-2-4-7-15/h2-14H,1H3,(H,25,27)(H,23,24,26)
InChIKeyYBOPJJOIWZWDQS-UHFFFAOYSA-N
XLogP4.72
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[[3,5-bis(trifluoromethyl)benzoyl]amino]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
CID 59813634
4-bromo-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzamide
CID 59813443
6-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide
CID 122377977
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-methylbenzamide
CID 59813260
2-(methylamino)-N-naphthalen-1-ylpyridine-4-carboxamide
CID 62185750
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide
CID 59813488
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3,4-dimethylbenzamide
CID 59813296
N-(2-methylphenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 46388811
4-[5-(2,2-dimethylpropanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
CID 59813172
N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-7-methoxynaphthalen-1-yl]benzamide
CID 11294587
N-[6-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]naphthalen-1-yl]-2-phenylacetamide
CID 143083701
N-(6-methoxyquinolin-8-yl)benzamide
CID 684962

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide?
The IUPAC name of N-[6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide (CID 59813393) is N-[6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide.
What is the SMILES notation for N-[6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide?
The canonical SMILES for N-[6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide is CNc1nccc(Oc2ccc3c(NC(=O)c4ccccc4)cccc3c2)n1.
What is the InChIKey of N-[6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide?
The InChIKey is YBOPJJOIWZWDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-23-22-24-13-12-20(26-22)28-17-10-11-18-16(14-17)8-5-9-19(18)25-21(27)15-6-3-2-4-7-15/h2-14H,1H3,(H,25,27)(H,23,24,26).
What are the key properties of N-[6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide?
N-[6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide has a molecular weight of 370.41 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]benzamide is sourced from PubChem (CID 59813393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).