N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide

C26H22N6O — CID 122291817

IUPACN-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide
SMILESCc1nccn1-c1cc(Nc2ccc(NC(=O)Cc3cccc4ccccc34)cc2)ncn1
InChIInChI=1S/C26H22N6O/c1-18-27-13-14-32(18)25-16-24(28-17-29-25)30-21-9-11-22(12-10-21)31-26(33)15-20-7-4-6-19-5-2-3-8-23(19)20/h2-14,16-17H,15H2,1H3,(H,31,33)(H,28,29,30)
InChIKeyWIRXSYCWPHDAAU-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.05
Rot. Bonds6

About N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide

N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide (PubChem CID 122291817) has the molecular formula C26H22N6O and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide
PubChem CID122291817
Molecular FormulaC26H22N6O
Molecular Weight434.50 g/mol
Exact Mass434.19
IUPAC NameN-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide
SMILESCc1nccn1-c1cc(Nc2ccc(NC(=O)Cc3cccc4ccccc34)cc2)ncn1
InChIInChI=1S/C26H22N6O/c1-18-27-13-14-32(18)25-16-24(28-17-29-25)30-21-9-11-22(12-10-21)31-26(33)15-20-7-4-6-19-5-2-3-8-23(19)20/h2-14,16-17H,15H2,1H3,(H,31,33)(H,28,29,30)
InChIKeyWIRXSYCWPHDAAU-UHFFFAOYSA-N
XLogP5.05
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 121073957
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide
CID 122291908
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-phenoxyacetamide
CID 121073956
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)propanamide
CID 122291876
2-(4-chlorophenoxy)-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 121073975
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-naphthalen-1-ylacetamide
CID 122291584
1-(3,4-dimethylphenyl)-3-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]urea
CID 121074302
N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide
CID 122316768
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-4-oxochromene-2-carboxamide
CID 122291827
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]cyclobutanecarboxamide
CID 122291838
4-iodo-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121073990
2,5-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121073969

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide (CID 122291817) is N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide is Cc1nccn1-c1cc(Nc2ccc(NC(=O)Cc3cccc4ccccc34)cc2)ncn1.
What is the InChIKey of N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide?
The InChIKey is WIRXSYCWPHDAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O/c1-18-27-13-14-32(18)25-16-24(28-17-29-25)30-21-9-11-22(12-10-21)31-26(33)15-20-7-4-6-19-5-2-3-8-23(19)20/h2-14,16-17H,15H2,1H3,(H,31,33)(H,28,29,30).
What are the key properties of N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide?
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide has a molecular weight of 434.50 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 122291817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).