N-(4-chlorophenyl)-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide

C22H17ClN4O2 — CID 24822266

IUPACN-(4-chlorophenyl)-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
SMILESCNc1nccc(Oc2ccc3c(C(=O)Nc4ccc(Cl)cc4)cccc3c2)n1
InChIInChI=1S/C22H17ClN4O2/c1-24-22-25-12-11-20(27-22)29-17-9-10-18-14(13-17)3-2-4-19(18)21(28)26-16-7-5-15(23)6-8-16/h2-13H,1H3,(H,26,28)(H,24,25,27)
InChIKeyUKFXPJQEYJBYQU-UHFFFAOYSA-N
MW404.86 g/mol
LogP5.37
Rot. Bonds5

About N-(4-chlorophenyl)-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide

N-(4-chlorophenyl)-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide (PubChem CID 24822266) has the molecular formula C22H17ClN4O2 and a molecular weight of 404.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
PubChem CID24822266
Molecular FormulaC22H17ClN4O2
Molecular Weight404.86 g/mol
Exact Mass404.10
IUPAC NameN-(4-chlorophenyl)-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
SMILESCNc1nccc(Oc2ccc3c(C(=O)Nc4ccc(Cl)cc4)cccc3c2)n1
InChIInChI=1S/C22H17ClN4O2/c1-24-22-25-12-11-20(27-22)29-17-9-10-18-14(13-17)3-2-4-19(18)21(28)26-16-7-5-15(23)6-8-16/h2-13H,1H3,(H,26,28)(H,24,25,27)
InChIKeyUKFXPJQEYJBYQU-UHFFFAOYSA-N
XLogP5.37
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.86
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide (CID 24822266) is N-(4-chlorophenyl)-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide is CNc1nccc(Oc2ccc3c(C(=O)Nc4ccc(Cl)cc4)cccc3c2)n1.
What is the InChIKey of N-(4-chlorophenyl)-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
The InChIKey is UKFXPJQEYJBYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2/c1-24-22-25-12-11-20(27-22)29-17-9-10-18-14(13-17)3-2-4-19(18)21(28)26-16-7-5-15(23)6-8-16/h2-13H,1H3,(H,26,28)(H,24,25,27).
What are the key properties of N-(4-chlorophenyl)-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
N-(4-chlorophenyl)-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide has a molecular weight of 404.86 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide is sourced from PubChem (CID 24822266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).