N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(naphthalen-1-ylamino)acetamide

C29H23ClN4O2 — CID 46269868

IUPACN-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(naphthalen-1-ylamino)acetamide
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)CNc3cccc4ccccc34)n2)cc1
InChIInChI=1S/C29H23ClN4O2/c1-36-23-15-11-21(12-16-23)27-17-26(20-9-13-22(30)14-10-20)32-29(33-27)34-28(35)18-31-25-8-4-6-19-5-2-3-7-24(19)25/h2-17,31H,18H2,1H3,(H,32,33,34,35)
InChIKeyYXFMPAJQOQANLA-UHFFFAOYSA-N
MW494.98 g/mol
LogP6.68
Rot. Bonds7

About N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(naphthalen-1-ylamino)acetamide

N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(naphthalen-1-ylamino)acetamide (PubChem CID 46269868) has the molecular formula C29H23ClN4O2 and a molecular weight of 494.98 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(naphthalen-1-ylamino)acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(naphthalen-1-ylamino)acetamide
PubChem CID46269868
Molecular FormulaC29H23ClN4O2
Molecular Weight494.98 g/mol
Exact Mass494.15
IUPAC NameN-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(naphthalen-1-ylamino)acetamide
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)CNc3cccc4ccccc34)n2)cc1
InChIInChI=1S/C29H23ClN4O2/c1-36-23-15-11-21(12-16-23)27-17-26(20-9-13-22(30)14-10-20)32-29(33-27)34-28(35)18-31-25-8-4-6-19-5-2-3-7-24(19)25/h2-17,31H,18H2,1H3,(H,32,33,34,35)
InChIKeyYXFMPAJQOQANLA-UHFFFAOYSA-N
XLogP6.68
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.98
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(4-methoxyanilino)acetamide
CID 50751113
N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-2-(2-ethoxyanilino)acetamide
CID 46269866
N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide
CID 20896243
N-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 46269845
N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide
CID 20896247
2-(2,4-dimethylanilino)-N-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]acetamide
CID 46269896
N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 9084498
N-(3,4-dimethoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 9082418
N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide
CID 20896233
N-(5-tert-butyl-2-methoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 2456629
2-(naphthalen-1-ylamino)-N-phenylacetamide
CID 9082358
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 5094767

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(naphthalen-1-ylamino)acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(naphthalen-1-ylamino)acetamide (CID 46269868) is N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(naphthalen-1-ylamino)acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(naphthalen-1-ylamino)acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(naphthalen-1-ylamino)acetamide is COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)CNc3cccc4ccccc34)n2)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(naphthalen-1-ylamino)acetamide?
The InChIKey is YXFMPAJQOQANLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClN4O2/c1-36-23-15-11-21(12-16-23)27-17-26(20-9-13-22(30)14-10-20)32-29(33-27)34-28(35)18-31-25-8-4-6-19-5-2-3-7-24(19)25/h2-17,31H,18H2,1H3,(H,32,33,34,35).
What are the key properties of N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(naphthalen-1-ylamino)acetamide?
N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(naphthalen-1-ylamino)acetamide has a molecular weight of 494.98 g/mol, XLogP of 6.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]-2-(naphthalen-1-ylamino)acetamide is sourced from PubChem (CID 46269868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).